N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C23H18FN3O4 — CID 54727072

IUPACN-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1cccc(-n2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)c3cccnc32)c1
InChIInChI=1S/C23H18FN3O4/c1-31-17-5-2-4-16(12-17)27-21-18(6-3-11-25-21)20(28)19(23(27)30)22(29)26-13-14-7-9-15(24)10-8-14/h2-12,28H,13H2,1H3,(H,26,29)
InChIKeyPHRHTKVSSRQBTR-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.17
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54727072) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54727072
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1cccc(-n2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)c3cccnc32)c1
InChIInChI=1S/C23H18FN3O4/c1-31-17-5-2-4-16(12-17)27-21-18(6-3-11-25-21)20(28)19(23(27)30)22(29)26-13-14-7-9-15(24)10-8-14/h2-12,28H,13H2,1H3,(H,26,29)
InChIKeyPHRHTKVSSRQBTR-UHFFFAOYSA-N
XLogP3.17
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727044
N-(2,4-difluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727135
1-(4-fluorophenyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726984
N-(4-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727141
N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727129
4-hydroxy-1-(3-methoxyphenyl)-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727123
N-(3-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727140
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54733631
4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676176
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 98235517
methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate
CID 54726961
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722023

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54727072) is N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is COc1cccc(-n2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)c3cccnc32)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is PHRHTKVSSRQBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-31-17-5-2-4-16(12-17)27-21-18(6-3-11-25-21)20(28)19(23(27)30)22(29)26-13-14-7-9-15(24)10-8-14/h2-12,28H,13H2,1H3,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54727072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).