1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide

C15H10BrN3O2 — CID 22391985

IUPAC1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
InChIInChI=1S/C15H10BrN3O2/c16-9-3-1-4-10(7-9)19-8-12(14(17)21)13(20)11-5-2-6-18-15(11)19/h1-8H,(H2,17,21)
InChIKeyOTKCGYHRNLGGRC-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.25
Rot. Bonds2

About 1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide

1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 22391985) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID22391985
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC Name1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O
InChIInChI=1S/C15H10BrN3O2/c16-9-3-1-4-10(7-9)19-8-12(14(17)21)13(20)11-5-2-6-18-15(11)19/h1-8H,(H2,17,21)
InChIKeyOTKCGYHRNLGGRC-UHFFFAOYSA-N
XLogP2.25
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide (CID 22391985) is 1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide is NC(=O)c1cn(-c2cccc(Br)c2)c2ncccc2c1=O.
What is the InChIKey of 1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is OTKCGYHRNLGGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-9-3-1-4-10(7-9)19-8-12(14(17)21)13(20)11-5-2-6-18-15(11)19/h1-8H,(H2,17,21).
What are the key properties of 1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide?
1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 344.17 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 22391985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).