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

C22H15ClFN3O2 — CID 7620786

IUPACN-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H15ClFN3O2/c23-16-4-1-5-18(12-16)26-21(28)19-11-15-3-2-10-25-20(15)27(22(19)29)13-14-6-8-17(24)9-7-14/h1-12H,13H2,(H,26,28)
InChIKeyMUOXKUULCUPVSK-UHFFFAOYSA-N
MW407.83 g/mol
LogP4.49
Rot. Bonds4

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

N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620786) has the molecular formula C22H15ClFN3O2 and a molecular weight of 407.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620786
Molecular FormulaC22H15ClFN3O2
Molecular Weight407.83 g/mol
Exact Mass407.08
IUPAC NameN-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H15ClFN3O2/c23-16-4-1-5-18(12-16)26-21(28)19-11-15-3-2-10-25-20(15)27(22(19)29)13-14-6-8-17(24)9-7-14/h1-12H,13H2,(H,26,28)
InChIKeyMUOXKUULCUPVSK-UHFFFAOYSA-N
XLogP4.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996287
1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 26844238
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620801
1-[(4-fluorophenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 26844218
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 26844227
1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620827
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
CID 7621241
N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996288
N-tert-butyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620678
1-benzyl-2-oxo-N-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 7620300
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620786) is N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is MUOXKUULCUPVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN3O2/c23-16-4-1-5-18(12-16)26-21(28)19-11-15-3-2-10-25-20(15)27(22(19)29)13-14-6-8-17(24)9-7-14/h1-12H,13H2,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 407.83 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).