4-(1H-indol-3-yl)-6,8-dimethylquinoline

C19H16N2 — CID 177392885

IUPAC4-(1H-indol-3-yl)-6,8-dimethylquinoline
SMILESCc1cc(C)c2nccc(-c3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C19H16N2/c1-12-9-13(2)19-16(10-12)14(7-8-20-19)17-11-21-18-6-4-3-5-15(17)18/h3-11,21H,1-2H3
InChIKeyJSLMWUCSMLLOCR-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.00
Rot. Bonds1

About 4-(1H-indol-3-yl)-6,8-dimethylquinoline

4-(1H-indol-3-yl)-6,8-dimethylquinoline (PubChem CID 177392885) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-6,8-dimethylquinoline.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-6,8-dimethylquinoline
PubChem CID177392885
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name4-(1H-indol-3-yl)-6,8-dimethylquinoline
SMILESCc1cc(C)c2nccc(-c3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C19H16N2/c1-12-9-13(2)19-16(10-12)14(7-8-20-19)17-11-21-18-6-4-3-5-15(17)18/h3-11,21H,1-2H3
InChIKeyJSLMWUCSMLLOCR-UHFFFAOYSA-N
XLogP5.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-dimethyl-1H-indol-3-yl)-6,8-dimethylquinoline
CID 66651924
3-(2,4,6-trimethylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 142640932
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
5-(1H-indol-3-yl)-3-methylpyrrol-2-one
CID 171488388
2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole
CID 88972587
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
5-methyl-7H-pyrido[2,3-c]carbazole
CID 10331503
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 15653057
3-pyridin-4-yl-1H-indole
CID 159430533
3-[(4-methyl-2-pyridinyl)methyl]-1H-indole
CID 23967759
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
7-(1H-indol-3-yl)-6-methylquinazoline-2,4-diamine
CID 67607527

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-6,8-dimethylquinoline?
The IUPAC name of 4-(1H-indol-3-yl)-6,8-dimethylquinoline (CID 177392885) is 4-(1H-indol-3-yl)-6,8-dimethylquinoline.
What is the SMILES notation for 4-(1H-indol-3-yl)-6,8-dimethylquinoline?
The canonical SMILES for 4-(1H-indol-3-yl)-6,8-dimethylquinoline is Cc1cc(C)c2nccc(-c3c[nH]c4ccccc34)c2c1.
What is the InChIKey of 4-(1H-indol-3-yl)-6,8-dimethylquinoline?
The InChIKey is JSLMWUCSMLLOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-12-9-13(2)19-16(10-12)14(7-8-20-19)17-11-21-18-6-4-3-5-15(17)18/h3-11,21H,1-2H3.
What are the key properties of 4-(1H-indol-3-yl)-6,8-dimethylquinoline?
4-(1H-indol-3-yl)-6,8-dimethylquinoline has a molecular weight of 272.35 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-6,8-dimethylquinoline is sourced from PubChem (CID 177392885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).