1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid

C18H14FNO4 — CID 54679961

IUPAC1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)c(O)c(C(=O)O)c(=O)n2Cc1ccc(F)cc1
InChIInChI=1S/C18H14FNO4/c1-10-2-7-14-13(8-10)16(21)15(18(23)24)17(22)20(14)9-11-3-5-12(19)6-4-11/h2-8,21H,9H2,1H3,(H,23,24)
InChIKeyUWVDAHLESMIXNO-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.90
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid

1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid (PubChem CID 54679961) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid
PubChem CID54679961
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCc1ccc2c(c1)c(O)c(C(=O)O)c(=O)n2Cc1ccc(F)cc1
InChIInChI=1S/C18H14FNO4/c1-10-2-7-14-13(8-10)16(21)15(18(23)24)17(22)20(14)9-11-3-5-12(19)6-4-11/h2-8,21H,9H2,1H3,(H,23,24)
InChIKeyUWVDAHLESMIXNO-UHFFFAOYSA-N
XLogP2.90
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxylic acid
CID 54728575
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
9-[(4-fluorophenyl)methyl]-6-methylcarbazol-4-ol
CID 18671681
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
5-benzyl-2,9-dimethylphenanthridin-6-one
CID 86257513
ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 69477265
3-benzyl-1-[(4-fluorophenyl)methyl]-5,8-dimethylpyrimido[5,4-b]indole-2,4-dione
CID 20914487
4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 141191896
N-[3-[1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinolin-3-yl]-1,1-dioxo-4H-1λ6,4-benzothiazin-7-yl]methanesulfonamide
CID 54727992
6-ethoxycarbonyl-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 139626680
2-[[6-fluoro-4-hydroxy-2-oxo-1-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]quinoline-3-carbonyl]amino]acetic acid
CID 54685191
1-[(4-fluorophenyl)methyl]-5,8-dimethyl-3-phenylpyrimido[5,4-b]indole-2,4-dione
CID 20914460

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid (CID 54679961) is 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid is Cc1ccc2c(c1)c(O)c(C(=O)O)c(=O)n2Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid?
The InChIKey is UWVDAHLESMIXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-10-2-7-14-13(8-10)16(21)15(18(23)24)17(22)20(14)9-11-3-5-12(19)6-4-11/h2-8,21H,9H2,1H3,(H,23,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid?
1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid has a molecular weight of 327.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 54679961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).