4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile

C17H10ClFN2O — CID 21081957

IUPAC4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
SMILESN#Cc1c(Cl)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H10ClFN2O/c18-16-13-3-1-2-4-15(13)21(17(22)14(16)9-20)10-11-5-7-12(19)8-6-11/h1-8H,10H2
InChIKeyAPNAMDOVTAOXEO-UHFFFAOYSA-N
MW312.73 g/mol
LogP3.71
Rot. Bonds2

About 4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile

4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile (PubChem CID 21081957) has the molecular formula C17H10ClFN2O and a molecular weight of 312.73 g/mol. Its IUPAC name is 4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
PubChem CID21081957
Molecular FormulaC17H10ClFN2O
Molecular Weight312.73 g/mol
Exact Mass312.05
IUPAC Name4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
SMILESN#Cc1c(Cl)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H10ClFN2O/c18-16-13-3-1-2-4-15(13)21(17(22)14(16)9-20)10-11-5-7-12(19)8-6-11/h1-8H,10H2
InChIKeyAPNAMDOVTAOXEO-UHFFFAOYSA-N
XLogP3.71
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile
CID 58799228
1-[(4-fluorophenyl)methyl]-2-oxo-4-piperazin-1-ylquinoline-3-carbonitrile;hydrochloride
CID 70874272
1-[(4-fluorophenyl)methyl]-3-hydroxyquinazoline-2,4-dione
CID 52936428
1-[(4-fluorophenyl)methyl]-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carbonitrile
CID 89052513
4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 58799173
1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
CID 166437920
[(3S,3aR,6S,6aR)-3-[3-cyano-1-[(4-fluorophenyl)methyl]-2-oxoquinolin-4-yl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-chloroacetate
CID 126646569
azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159792567
1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(quinoline-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081886
2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
CID 82268508
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
10-[(4-fluorophenyl)methyl]-2H-[1,2,4]triazino[4,3-a]benzimidazole-3,4-dione
CID 10979812

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile (CID 21081957) is 4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile is N#Cc1c(Cl)c2ccccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile?
The InChIKey is APNAMDOVTAOXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2O/c18-16-13-3-1-2-4-15(13)21(17(22)14(16)9-20)10-11-5-7-12(19)8-6-11/h1-8H,10H2.
What are the key properties of 4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile?
4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile has a molecular weight of 312.73 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 21081957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).