3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one

C20H19BrN2O — CID 57338759

IUPAC3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one
SMILESO=c1c(Br)c(-c2ccccc2)n(C2CCCCC2)c2ncccc12
InChIInChI=1S/C20H19BrN2O/c21-17-18(14-8-3-1-4-9-14)23(15-10-5-2-6-11-15)20-16(19(17)24)12-7-13-22-20/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2
InChIKeyMUOAWFIDVWHOLW-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.33
Rot. Bonds2

About 3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one

3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one (PubChem CID 57338759) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one
PubChem CID57338759
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one
SMILESO=c1c(Br)c(-c2ccccc2)n(C2CCCCC2)c2ncccc12
InChIInChI=1S/C20H19BrN2O/c21-17-18(14-8-3-1-4-9-14)23(15-10-5-2-6-11-15)20-16(19(17)24)12-7-13-22-20/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2
InChIKeyMUOAWFIDVWHOLW-UHFFFAOYSA-N
XLogP5.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one (CID 57338759) is 3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one is O=c1c(Br)c(-c2ccccc2)n(C2CCCCC2)c2ncccc12.
What is the InChIKey of 3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one?
The InChIKey is MUOAWFIDVWHOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c21-17-18(14-8-3-1-4-9-14)23(15-10-5-2-6-11-15)20-16(19(17)24)12-7-13-22-20/h1,3-4,7-9,12-13,15H,2,5-6,10-11H2.
What are the key properties of 3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one?
3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one has a molecular weight of 383.29 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclohexyl-2-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 57338759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).