N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide

C23H17FN2O3 — CID 54731614

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C23H17FN2O3/c24-16-12-10-15(11-13-16)14-25-22(28)20-21(27)18-8-4-5-9-19(18)26(23(20)29)17-6-2-1-3-7-17/h1-13,27H,14H2,(H,25,28)
InChIKeyKKZPLKBEGROUOA-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.77
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide (PubChem CID 54731614) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
PubChem CID54731614
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C23H17FN2O3/c24-16-12-10-15(11-13-16)14-25-22(28)20-21(27)18-8-4-5-9-19(18)26(23(20)29)17-6-2-1-3-7-17/h1-13,27H,14H2,(H,25,28)
InChIKeyKKZPLKBEGROUOA-UHFFFAOYSA-N
XLogP3.77
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 71814744
N-(6-aminohexyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54712310
N-(4-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54736636
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54733631
N-benzyl-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727044
N-(2-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731601
N-[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680635
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727072
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
1-(4-fluorophenyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726984
2-[4-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762496

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide (CID 54731614) is N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The InChIKey is KKZPLKBEGROUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c24-16-12-10-15(11-13-16)14-25-22(28)20-21(27)18-8-4-5-9-19(18)26(23(20)29)17-6-2-1-3-7-17/h1-13,27H,14H2,(H,25,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54731614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).