2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline

C24H19N3 — CID 162651759

IUPAC2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline
SMILESCc1cc(-c2cccc(-c3cn(C)c4ccccc34)n2)c2ccccc2n1
InChIInChI=1S/C24H19N3/c1-16-14-19(17-8-3-5-10-21(17)25-16)22-11-7-12-23(26-22)20-15-27(2)24-13-6-4-9-18(20)24/h3-15H,1-2H3
InChIKeyVQUDBDQLPIJWOB-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.76
Rot. Bonds2

About 2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline

2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline (PubChem CID 162651759) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline.

Molecular Properties

Compound Name2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline
PubChem CID162651759
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline
SMILESCc1cc(-c2cccc(-c3cn(C)c4ccccc34)n2)c2ccccc2n1
InChIInChI=1S/C24H19N3/c1-16-14-19(17-8-3-5-10-21(17)25-16)22-11-7-12-23(26-22)20-15-27(2)24-13-6-4-9-18(20)24/h3-15H,1-2H3
InChIKeyVQUDBDQLPIJWOB-UHFFFAOYSA-N
XLogP5.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline?
The IUPAC name of 2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline (CID 162651759) is 2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline.
What is the SMILES notation for 2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline?
The canonical SMILES for 2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline is Cc1cc(-c2cccc(-c3cn(C)c4ccccc34)n2)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline?
The InChIKey is VQUDBDQLPIJWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-16-14-19(17-8-3-5-10-21(17)25-16)22-11-7-12-23(26-22)20-15-27(2)24-13-6-4-9-18(20)24/h3-15H,1-2H3.
What are the key properties of 2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline?
2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline has a molecular weight of 349.44 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-(1-methylindol-3-yl)-2-pyridinyl]quinoline is sourced from PubChem (CID 162651759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).