2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

C23H14BrN3O — CID 137438020

IUPAC2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(Br)[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C23H14BrN3O/c24-21-13-20(28)18-12-17(15-8-9-19-16(11-15)7-4-10-25-19)22(27-23(18)26-21)14-5-2-1-3-6-14/h1-13H,(H,26,27,28)
InChIKeyYSLKVNIZUBSUCY-UHFFFAOYSA-N
MW428.29 g/mol
LogP5.57
Rot. Bonds2

About 2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137438020) has the molecular formula C23H14BrN3O and a molecular weight of 428.29 g/mol. Its IUPAC name is 2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID137438020
Molecular FormulaC23H14BrN3O
Molecular Weight428.29 g/mol
Exact Mass427.03
IUPAC Name2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc(Br)[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C23H14BrN3O/c24-21-13-20(28)18-12-17(15-8-9-19-16(11-15)7-4-10-25-19)22(27-23(18)26-21)14-5-2-1-3-6-14/h1-13H,(H,26,27,28)
InChIKeyYSLKVNIZUBSUCY-UHFFFAOYSA-N
XLogP5.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.29
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137438020) is 2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is O=c1cc(Br)[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12.
What is the InChIKey of 2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is YSLKVNIZUBSUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrN3O/c24-21-13-20(28)18-12-17(15-8-9-19-16(11-15)7-4-10-25-19)22(27-23(18)26-21)14-5-2-1-3-6-14/h1-13H,(H,26,27,28).
What are the key properties of 2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one has a molecular weight of 428.29 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).