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

C19H18N2O2 — CID 54735446

IUPAC4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one
SMILESCC(C)=CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H18N2O2/c1-13(2)10-11-16-17(22)15-9-6-12-20-18(15)21(19(16)23)14-7-4-3-5-8-14/h3-10,12,22H,11H2,1-2H3
InChIKeyXBFDBZHOMNGFKQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.60
Rot. Bonds3

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

4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 54735446) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one
PubChem CID54735446
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one
SMILESCC(C)=CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H18N2O2/c1-13(2)10-11-16-17(22)15-9-6-12-20-18(15)21(19(16)23)14-7-4-3-5-8-14/h3-10,12,22H,11H2,1-2H3
InChIKeyXBFDBZHOMNGFKQ-UHFFFAOYSA-N
XLogP3.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one (CID 54735446) is 4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one is CC(C)=CCc1c(O)c2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is XBFDBZHOMNGFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(2)10-11-16-17(22)15-9-6-12-20-18(15)21(19(16)23)14-7-4-3-5-8-14/h3-10,12,22H,11H2,1-2H3.
What are the key properties of 4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one?
4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-methylbut-2-enyl)-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54735446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).