4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one

C18H16N2O3 — CID 54728901

IUPAC4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one
SMILESCC(=O)CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C18H16N2O3/c1-12(21)9-10-15-16(22)14-8-5-11-19-17(14)20(18(15)23)13-6-3-2-4-7-13/h2-8,11,22H,9-10H2,1H3
InChIKeyMJANJCPQQZBFBY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.61
Rot. Bonds4

About 4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one

4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 54728901) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one
PubChem CID54728901
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one
SMILESCC(=O)CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C18H16N2O3/c1-12(21)9-10-15-16(22)14-8-5-11-19-17(14)20(18(15)23)13-6-3-2-4-7-13/h2-8,11,22H,9-10H2,1H3
InChIKeyMJANJCPQQZBFBY-UHFFFAOYSA-N
XLogP2.61
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one (CID 54728901) is 4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one is CC(=O)CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is MJANJCPQQZBFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(21)9-10-15-16(22)14-8-5-11-19-17(14)20(18(15)23)13-6-3-2-4-7-13/h2-8,11,22H,9-10H2,1H3.
What are the key properties of 4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one?
4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 308.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-oxobutyl)-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54728901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).