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

C17H11FN2O2 — CID 58799228

IUPAC1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile
SMILESN#Cc1c(O)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H11FN2O2/c18-12-7-5-11(6-8-12)10-20-15-4-2-1-3-13(15)16(21)14(9-19)17(20)22/h1-8,21H,10H2
InChIKeyNRMUCMIGXOFIJD-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.77
Rot. Bonds2

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

1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile (PubChem CID 58799228) has the molecular formula C17H11FN2O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile
PubChem CID58799228
Molecular FormulaC17H11FN2O2
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile
SMILESN#Cc1c(O)c2ccccc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C17H11FN2O2/c18-12-7-5-11(6-8-12)10-20-15-4-2-1-3-13(15)16(21)14(9-19)17(20)22/h1-8,21H,10H2
InChIKeyNRMUCMIGXOFIJD-UHFFFAOYSA-N
XLogP2.77
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile
CID 21081957
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
azane;1-[(4-fluorophenyl)methyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carbonitrile
CID 159792567
[(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
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
1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(quinoline-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 21081886
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
N-tert-butyl-2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46861008
1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one
CID 54706810

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile (CID 58799228) is 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile is N#Cc1c(O)c2ccccc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile?
The InChIKey is NRMUCMIGXOFIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2/c18-12-7-5-11(6-8-12)10-20-15-4-2-1-3-13(15)16(21)14(9-19)17(20)22/h1-8,21H,10H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile?
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile has a molecular weight of 294.29 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carbonitrile is sourced from PubChem (CID 58799228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).