6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile

C17H13N3 — CID 144880701

IUPAC6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile
SMILESCc1ccnc(Cc2ccc3nccc(C#N)c3c2)c1
InChIInChI=1S/C17H13N3/c1-12-4-6-19-15(8-12)9-13-2-3-17-16(10-13)14(11-18)5-7-20-17/h2-8,10H,9H2,1H3
InChIKeyKYGUWOAFZKFWGT-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.40
Rot. Bonds2

About 6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile

6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile (PubChem CID 144880701) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile
PubChem CID144880701
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile
SMILESCc1ccnc(Cc2ccc3nccc(C#N)c3c2)c1
InChIInChI=1S/C17H13N3/c1-12-4-6-19-15(8-12)9-13-2-3-17-16(10-13)14(11-18)5-7-20-17/h2-8,10H,9H2,1H3
InChIKeyKYGUWOAFZKFWGT-UHFFFAOYSA-N
XLogP3.40
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2-pyridinyl)acetonitrile
CID 12812206
6-[4-(dimethylamino)phenyl]quinoline-4-carbonitrile;ethane
CID 142527643
3-methylquinoline-5-carbonitrile
CID 23510421
6-(bromomethyl)-2-methylquinoline-4-carbonitrile
CID 14991280
2-(4-methylquinolin-6-yl)acetaldehyde
CID 83876531
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
2-[(3-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 118665159
6-(hydroxymethyl)-7-methoxyquinoline-4-carbonitrile
CID 59756891
6-ethyl-2-(methylamino)quinoline-4-carbonitrile
CID 84621553
4-methyl-2-[(E)-pent-3-enyl]pyridine
CID 19593487
N-[(6-amino-5-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118665420
3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde
CID 121300992

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile?
The IUPAC name of 6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile (CID 144880701) is 6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile.
What is the SMILES notation for 6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile?
The canonical SMILES for 6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile is Cc1ccnc(Cc2ccc3nccc(C#N)c3c2)c1.
What is the InChIKey of 6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile?
The InChIKey is KYGUWOAFZKFWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12-4-6-19-15(8-12)9-13-2-3-17-16(10-13)14(11-18)5-7-20-17/h2-8,10H,9H2,1H3.
What are the key properties of 6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile?
6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methyl-2-pyridinyl)methyl]quinoline-4-carbonitrile is sourced from PubChem (CID 144880701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).