8-Methoxy-2,5-dimethylquinoline

CAT: 0127-OR1004632Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1004632Size:5 g

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CAS Number

87927-05-7

MDL Number

MFCD04966973

Purity

95%

Smiles

COc1ccc(C)c2ccc(C)nc12

Chemical Information

8-Methoxy-2,5-dimethylquinoline

CAS Number	87927-05-7
PubChem CID	4714992
IUPAC Name	8-methoxy-2,5-dimethylquinoline
Molecular Formula	C12H13NO
Molecular Weight	187.24
XLogP	2.9
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	195

SMILES

CC1=C2C=CC(=NC2=C(C=C1)OC)C

InChI

InChI=1S/C12H13NO/c1-8-4-7-11(14-3)12-10(8)6-5-9(2)13-12/h4-7H,1-3H3

InChIKey

QMLXKKFVQPSLHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87927-05-7

CID: 4714992

Formula: C12H13NO

MW: 187.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.24
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	187.099714038
Monoisotopic Mass	187.099714038
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	195
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR901693-01	2-Methoxy-6,8-dimethylquinoline
PC1004824-01	5-Fluoro-2,8-dimethylquinoline
OR307991-01	5-Chloro-2,8-dimethylquinoline
OR90301	2,8-Dimethylquinoline
OR1030565-01	2,8-Dimethylquinoline
OR307890-01	2,8-Dimethylquinoline hydrochloride
OR1045904	2,5-Dimethylquinoline
OR1075302	4-Chloro-5,8-dimethylquinoline
OR307914-01	2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde
OR1083128	8-Bromo-5,6-dimethylquinoline

Catalog	Name
sc-290852	5-Chloro-2,8-dimethylquinoline
GTR19254683-01	2,8-Dimethylquinoline
sc-290517	4,5-Dichloro-2,8-dimethylquinoline
sc-288448	2,5-Dichloro-3,8-dimethylquinoline
sc-288551A	2,8-Dimethylquinoline Hydrochloride
CCA82405-01	2,4-Dimethylquinoline-5,8-diol hydrobromide
sc-287985	2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde
sc-289979	4-Bromo-5-chloro-2,8-dimethylquinoline
sc-287986A	2-Chloro-5,8-dimethylquinoline-3-methanol
sc-290184A	4-Chloro-5,8-dimethylquinoline