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

C22H15BrClN3O2 — CID 43996288

IUPACN-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C22H15BrClN3O2/c23-16-5-9-18(10-6-16)26-21(28)19-12-15-2-1-11-25-20(15)27(22(19)29)13-14-3-7-17(24)8-4-14/h1-12H,13H2,(H,26,28)
InChIKeyIZYQWOCMVQVZBX-UHFFFAOYSA-N
MW468.74 g/mol
LogP5.11
Rot. Bonds4

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

N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 43996288) has the molecular formula C22H15BrClN3O2 and a molecular weight of 468.74 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID43996288
Molecular FormulaC22H15BrClN3O2
Molecular Weight468.74 g/mol
Exact Mass467.00
IUPAC NameN-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C22H15BrClN3O2/c23-16-5-9-18(10-6-16)26-21(28)19-12-15-2-1-11-25-20(15)27(22(19)29)13-14-3-7-17(24)8-4-14/h1-12H,13H2,(H,26,28)
InChIKeyIZYQWOCMVQVZBX-UHFFFAOYSA-N
XLogP5.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.74
LogP ≤ 55.11
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-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
CID 7621241
1-[(4-chlorophenyl)methyl]-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 26844238
1-[(4-chlorophenyl)methyl]-2-oxo-N-(2-phenylphenyl)-1,8-naphthyridine-3-carboxamide
CID 43996302
N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620786
1-[(4-chlorophenyl)methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996361
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-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620565
1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620241
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 43996288) is N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is IZYQWOCMVQVZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrClN3O2/c23-16-5-9-18(10-6-16)26-21(28)19-12-15-2-1-11-25-20(15)27(22(19)29)13-14-3-7-17(24)8-4-14/h1-12H,13H2,(H,26,28).
What are the key properties of N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 468.74 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).