VPC-13566

CAT: 0926-TIA46459-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-TIA46459-02Size:0.5 g

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

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CAS Number

218464-59-6

Smiles

CC1=C2C (=CC=C1) C (=CN2) C3=NC4=CC=CC=C4C=C3

Molecular Formula

C18H14N2

Molecular Weight

258.3 g/mol

Controlled

Chemical Information

2-(7-methyl-1H-indol-3-yl)quinoline

CAS Number	218464-59-6
PubChem CID	18729606
IUPAC Name	2-(7-methyl-1H-indol-3-yl)quinoline
Molecular Formula	C18H14N2
Molecular Weight	258.3
XLogP	4.3
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	342

SMILES

CC1=C2C(=CC=C1)C(=CN2)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C18H14N2/c1-12-5-4-7-14-15(11-19-18(12)14)17-10-9-13-6-2-3-8-16(13)20-17/h2-11,19H,1H3

InChIKey

FPKBNOVQNMJTEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 218464-59-6

CID: 18729606

Formula: C18H14N2

MW: 258.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.3
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	258.115698455
Monoisotopic Mass	258.115698455
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	342
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