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

C22H16ClN3O4 — CID 54726905

IUPACN-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-n2c(=O)c(C(=O)Nc3ccccc3Cl)c(O)c3cccnc32)cc1
InChIInChI=1S/C22H16ClN3O4/c1-30-14-10-8-13(9-11-14)26-20-15(5-4-12-24-20)19(27)18(22(26)29)21(28)25-17-7-3-2-6-16(17)23/h2-12,27H,1H3,(H,25,28)
InChIKeyXQKWSSHZBARJAC-UHFFFAOYSA-N
MW421.84 g/mol
LogP4.01
Rot. Bonds4

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

N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54726905) has the molecular formula C22H16ClN3O4 and a molecular weight of 421.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54726905
Molecular FormulaC22H16ClN3O4
Molecular Weight421.84 g/mol
Exact Mass421.08
IUPAC NameN-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(-n2c(=O)c(C(=O)Nc3ccccc3Cl)c(O)c3cccnc32)cc1
InChIInChI=1S/C22H16ClN3O4/c1-30-14-10-8-13(9-11-14)26-20-15(5-4-12-24-20)19(27)18(22(26)29)21(28)25-17-7-3-2-6-16(17)23/h2-12,27H,1H3,(H,25,28)
InChIKeyXQKWSSHZBARJAC-UHFFFAOYSA-N
XLogP4.01
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N-(4-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722023
N-(2-fluoro-4-methylphenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726909
N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727129
N-(4-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727141
4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54726882
N-(3-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727140
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 98235517
4-hydroxy-3-[2-(4-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676192
N-(2,4-difluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727135
4-hydroxy-N-methyl-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722014
4-hydroxy-2-oxo-1-phenyl-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide
CID 54722015
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726976

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54726905) is N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(-n2c(=O)c(C(=O)Nc3ccccc3Cl)c(O)c3cccnc32)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XQKWSSHZBARJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O4/c1-30-14-10-8-13(9-11-14)26-20-15(5-4-12-24-20)19(27)18(22(26)29)21(28)25-17-7-3-2-6-16(17)23/h2-12,27H,1H3,(H,25,28).
What are the key properties of N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 421.84 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54726905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).