4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile

C16H15N3 — CID 55157442

IUPAC4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile
SMILESCc1ccc2c(c1)CCCN2c1ccnc(C#N)c1
InChIInChI=1S/C16H15N3/c1-12-4-5-16-13(9-12)3-2-8-19(16)15-6-7-18-14(10-15)11-17/h4-7,9-10H,2-3,8H2,1H3
InChIKeyOQDQFFUHUHKRDT-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.35
Rot. Bonds1

About 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile

4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile (PubChem CID 55157442) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile
PubChem CID55157442
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile
SMILESCc1ccc2c(c1)CCCN2c1ccnc(C#N)c1
InChIInChI=1S/C16H15N3/c1-12-4-5-16-13(9-12)3-2-8-19(16)15-6-7-18-14(10-15)11-17/h4-7,9-10H,2-3,8H2,1H3
InChIKeyOQDQFFUHUHKRDT-UHFFFAOYSA-N
XLogP3.35
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile (CID 55157442) is 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile is Cc1ccc2c(c1)CCCN2c1ccnc(C#N)c1.
What is the InChIKey of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile?
The InChIKey is OQDQFFUHUHKRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-4-5-16-13(9-12)3-2-8-19(16)15-6-7-18-14(10-15)11-17/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile?
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 55157442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).