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

C23H14BrN3O — CID 137438730

IUPAC3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1c(Br)c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C23H14BrN3O/c24-19-13-26-23-18(22(19)28)12-17(21(27-23)14-5-2-1-3-6-14)15-8-9-20-16(11-15)7-4-10-25-20/h1-13H,(H,26,27,28)
InChIKeyVSZALBCWIWOGMQ-UHFFFAOYSA-N
MW428.29 g/mol
LogP5.57
Rot. Bonds2

About 3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one

3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (PubChem CID 137438730) has the molecular formula C23H14BrN3O and a molecular weight of 428.29 g/mol. Its IUPAC name is 3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
PubChem CID137438730
Molecular FormulaC23H14BrN3O
Molecular Weight428.29 g/mol
Exact Mass427.03
IUPAC Name3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
SMILESO=c1c(Br)c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12
InChIInChI=1S/C23H14BrN3O/c24-19-13-26-23-18(22(19)28)12-17(21(27-23)14-5-2-1-3-6-14)15-8-9-20-16(11-15)7-4-10-25-20/h1-13H,(H,26,27,28)
InChIKeyVSZALBCWIWOGMQ-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one (CID 137438730) is 3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is O=c1c(Br)c[nH]c2nc(-c3ccccc3)c(-c3ccc4ncccc4c3)cc12.
What is the InChIKey of 3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
The InChIKey is VSZALBCWIWOGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrN3O/c24-19-13-26-23-18(22(19)28)12-17(21(27-23)14-5-2-1-3-6-14)15-8-9-20-16(11-15)7-4-10-25-20/h1-13H,(H,26,27,28).
What are the key properties of 3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one?
3-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 3-bromo-7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137438730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).