CB 65

CAT: 0127-BUP05027-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05027-06Size:200 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

913534-05-1

Purity

=98%

Smiles

C(CN1CCOCC1)N2C=3C(C(=O)C(C(NC4CCCCC4)=O)=C2)=CC=C(Cl)C3

Chemical Information

7-chloro-N-cyclohexyl-1-(2-morpholinoethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

CAS Number	913534-05-1
PubChem CID	16086891
IUPAC Name	7-chloro-N-cyclohexyl-1-(2-morpholin-4-ylethyl)-4-oxoquinoline-3-carboxamide
Molecular Formula	C22H28ClN3O3
Molecular Weight	417.9
XLogP	3.3
Topological Polar Surface Area	61.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	629

SMILES

C1CCC(CC1)NC(=O)C2=CN(C3=C(C2=O)C=CC(=C3)Cl)CCN4CCOCC4

InChI

InChI=1S/C22H28ClN3O3/c23-16-6-7-18-20(14-16)26(9-8-25-10-12-29-13-11-25)15-19(21(18)27)22(28)24-17-4-2-1-3-5-17/h6-7,14-15,17H,1-5,8-13H2,(H,24,28)

InChIKey

MFKWLGOHFQBVAA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 913534-05-1

CID: 16086891

Formula: C22H28ClN3O3

MW: 417.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	417.9
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	417.1819195
Monoisotopic Mass	417.1819195
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	629
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
BUP02494-01	CB-6644
BUP08195-01	CB-5083
BUP17541-01	CB-103
BUP02160-01	CB-7921220
BUP10247-01	CB-5339
OR1078612-01	Tricholine Citrate (ca. 65% in Water)
PC4596	Hexafluoroarsenic acid, 65% aqueous solution
IN1943	Gold (III) chloride, Au 65%
BITP1717	Recombinant Myobacterium Tuberculosis Heat Shock Protein 65
OR30795-01	3-Chloroprop-1-yne 65% solution in toluene

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