1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C22H16ClN3O3 — CID 54727016

IUPAC1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H16ClN3O3/c23-15-8-4-9-16(12-15)25-21(28)18-19(27)17-10-5-11-24-20(17)26(22(18)29)13-14-6-2-1-3-7-14/h1-12,27H,13H2,(H,25,28)
InChIKeyFIRJJPPCMXEYMT-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.06
Rot. Bonds4

About 1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54727016) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54727016
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H16ClN3O3/c23-15-8-4-9-16(12-15)25-21(28)18-19(27)17-10-5-11-24-20(17)26(22(18)29)13-14-6-2-1-3-7-14/h1-12,27H,13H2,(H,25,28)
InChIKeyFIRJJPPCMXEYMT-UHFFFAOYSA-N
XLogP4.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727010
1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727019
1-benzyl-N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727021
1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727033
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54731920
1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54733633
N-(3-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727140
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620786
N-(3-chlorophenyl)-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide
CID 46274067
2-[[1-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid
CID 54749345
6-[(3-chlorophenyl)methyl]-5-oxo-2,4-dihydro-1H-pyrido[3,4-c][1,8]naphthyridine-3-carboxylic acid
CID 175402716

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54727016) is 1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is FIRJJPPCMXEYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-15-8-4-9-16(12-15)25-21(28)18-19(27)17-10-5-11-24-20(17)26(22(18)29)13-14-6-2-1-3-7-14/h1-12,27H,13H2,(H,25,28).
What are the key properties of 1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54727016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).