5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile

C21H17N3O — CID 177167325

IUPAC5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile
SMILESCC(=O)c1cc(C)cc2nc(C#N)c(-c3ccnc(C4CC4)c3)cc12
InChIInChI=1S/C21H17N3O/c1-12-7-16(13(2)25)18-10-17(21(11-22)24-20(18)8-12)15-5-6-23-19(9-15)14-3-4-14/h5-10,14H,3-4H2,1-2H3
InChIKeyBZTQUTMOXYZYCY-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.56
Rot. Bonds3

About 5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile

5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile (PubChem CID 177167325) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile.

Molecular Properties

Compound Name5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile
PubChem CID177167325
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile
SMILESCC(=O)c1cc(C)cc2nc(C#N)c(-c3ccnc(C4CC4)c3)cc12
InChIInChI=1S/C21H17N3O/c1-12-7-16(13(2)25)18-10-17(21(11-22)24-20(18)8-12)15-5-6-23-19(9-15)14-3-4-14/h5-10,14H,3-4H2,1-2H3
InChIKeyBZTQUTMOXYZYCY-UHFFFAOYSA-N
XLogP4.56
TPSA66.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[5-(5-acetyl-2-cyano-7-methylquinolin-3-yl)-2-pyridinyl]cyclobutane-1-carboxylate
CID 177167539
2-[[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-2,7-dimethylquinolin-5-yl]ethyl]amino]-5-fluorobenzoic acid
CID 177167719
3-cyano-N-[(4S)-2-(2-cyclopropyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]-5-methylbenzamide
CID 177051419
1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanol
CID 166761070
2-cyano-6-cyclopropylpyridine-3-carboxylic acid
CID 168979963
1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
CID 145465231
ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate
CID 172556928
2-(2-acetylphenyl)pyridine-4-carbonitrile
CID 39782180
2-[(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]isoindole-1,3-dione
CID 166761003
(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine
CID 166761000
6-(2-cyclopropyl-4-pyridinyl)-2-(3-methylbutyl)quinoline
CID 151699147
1-[6-cyclopropyl-1-(2,4,6-trimethylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 121473450

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile?
The IUPAC name of 5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile (CID 177167325) is 5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile.
What is the SMILES notation for 5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile?
The canonical SMILES for 5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile is CC(=O)c1cc(C)cc2nc(C#N)c(-c3ccnc(C4CC4)c3)cc12.
What is the InChIKey of 5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile?
The InChIKey is BZTQUTMOXYZYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-12-7-16(13(2)25)18-10-17(21(11-22)24-20(18)8-12)15-5-6-23-19(9-15)14-3-4-14/h5-10,14H,3-4H2,1-2H3.
What are the key properties of 5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile?
5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile has a molecular weight of 327.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(2-cyclopropyl-4-pyridinyl)-7-methylquinoline-2-carbonitrile is sourced from PubChem (CID 177167325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).