1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile

C19H15ClN2O — CID 71568685

IUPAC1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c2ccccc2n(CCCCl)c1=O
InChIInChI=1S/C19H15ClN2O/c20-11-6-12-22-17-10-5-4-9-15(17)18(16(13-21)19(22)23)14-7-2-1-3-8-14/h1-5,7-10H,6,11-12H2
InChIKeySCALGFXMMGJSRK-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.17
Rot. Bonds4

About 1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile

1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile (PubChem CID 71568685) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile.

Molecular Properties

Compound Name1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile
PubChem CID71568685
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c2ccccc2n(CCCCl)c1=O
InChIInChI=1S/C19H15ClN2O/c20-11-6-12-22-17-10-5-4-9-15(17)18(16(13-21)19(22)23)14-7-2-1-3-8-14/h1-5,7-10H,6,11-12H2
InChIKeySCALGFXMMGJSRK-UHFFFAOYSA-N
XLogP4.17
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

9-(3-chloropropyl)carbazole
CID 14737436
1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-4-phenylquinoline-3-carbonitrile
CID 58852253
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
10-(6-chlorohexyl)acridin-9-one
CID 44566069
1-[2-(3,5-dicyano-2-methylsulfanyl-6-oxo-4-phenyl-1-pyridinyl)ethyl]-2-methylsulfanyl-6-oxo-4-phenylpyridine-3,5-dicarbonitrile
CID 102521339
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
9-(6-chlorohexyl)carbazole
CID 63465812
4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 21081957
1-(5-chloropentyl)quinazoline-2,4-dione
CID 22449700
2-(3-chloropropyl)-3-phenylphthalazine-1,4-dione
CID 16740196
2-[(4-cyano-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazol-2-yl)methyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 10721997

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile?
The IUPAC name of 1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile (CID 71568685) is 1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile.
What is the SMILES notation for 1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile?
The canonical SMILES for 1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile is N#Cc1c(-c2ccccc2)c2ccccc2n(CCCCl)c1=O.
What is the InChIKey of 1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile?
The InChIKey is SCALGFXMMGJSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-11-6-12-22-17-10-5-4-9-15(17)18(16(13-21)19(22)23)14-7-2-1-3-8-14/h1-5,7-10H,6,11-12H2.
What are the key properties of 1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile?
1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile has a molecular weight of 322.80 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-2-oxo-4-phenylquinoline-3-carbonitrile is sourced from PubChem (CID 71568685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).