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

C18H13ClN2 — CID 118449891

IUPAC5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
SMILESCc1cccc2c(-c3ccc4c(Cl)cccc4n3)c[nH]c12
InChIInChI=1S/C18H13ClN2/c1-11-4-2-5-12-14(10-20-18(11)12)17-9-8-13-15(19)6-3-7-16(13)21-17/h2-10,20H,1H3
InChIKeyOVBIOTYPPQHFDD-UHFFFAOYSA-N
MW292.77 g/mol
LogP5.34
Rot. Bonds1

About 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline

5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline (PubChem CID 118449891) has the molecular formula C18H13ClN2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
PubChem CID118449891
Molecular FormulaC18H13ClN2
Molecular Weight292.77 g/mol
Exact Mass292.08
IUPAC Name5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
SMILESCc1cccc2c(-c3ccc4c(Cl)cccc4n3)c[nH]c12
InChIInChI=1S/C18H13ClN2/c1-11-4-2-5-12-14(10-20-18(11)12)17-9-8-13-15(19)6-3-7-16(13)21-17/h2-10,20H,1H3
InChIKeyOVBIOTYPPQHFDD-UHFFFAOYSA-N
XLogP5.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.77
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline?
The IUPAC name of 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline (CID 118449891) is 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline.
What is the SMILES notation for 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline?
The canonical SMILES for 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline is Cc1cccc2c(-c3ccc4c(Cl)cccc4n3)c[nH]c12.
What is the InChIKey of 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline?
The InChIKey is OVBIOTYPPQHFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2/c1-11-4-2-5-12-14(10-20-18(11)12)17-9-8-13-15(19)6-3-7-16(13)21-17/h2-10,20H,1H3.
What are the key properties of 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline?
5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline has a molecular weight of 292.77 g/mol, XLogP of 5.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline is sourced from PubChem (CID 118449891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).