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

C18H13ClN2 — CID 118449843

IUPAC2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline
SMILESCc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C18H13ClN2/c1-11-8-13-14(10-20-18(13)15(19)9-11)17-7-6-12-4-2-3-5-16(12)21-17/h2-10,20H,1H3
InChIKeyCNFPVKGEEQFFGI-UHFFFAOYSA-N
MW292.77 g/mol
LogP5.34
Rot. Bonds1

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

2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline (PubChem CID 118449843) has the molecular formula C18H13ClN2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline.

Molecular Properties

Compound Name2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline
PubChem CID118449843
Molecular FormulaC18H13ClN2
Molecular Weight292.77 g/mol
Exact Mass292.08
IUPAC Name2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline
SMILESCc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C18H13ClN2/c1-11-8-13-14(10-20-18(13)15(19)9-11)17-7-6-12-4-2-3-5-16(12)21-17/h2-10,20H,1H3
InChIKeyCNFPVKGEEQFFGI-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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline?
The IUPAC name of 2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline (CID 118449843) is 2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline.
What is the SMILES notation for 2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline?
The canonical SMILES for 2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline is Cc1cc(Cl)c2[nH]cc(-c3ccc4ccccc4n3)c2c1.
What is the InChIKey of 2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline?
The InChIKey is CNFPVKGEEQFFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2/c1-11-8-13-14(10-20-18(13)15(19)9-11)17-7-6-12-4-2-3-5-16(12)21-17/h2-10,20H,1H3.
What are the key properties of 2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline?
2-(7-chloro-5-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 2-(7-chloro-5-methyl-1H-indol-3-yl)quinoline is sourced from PubChem (CID 118449843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).