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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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).