3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one

C18H16N2O2 — CID 54737812

IUPAC3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
SMILESC=CCCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C18H16N2O2/c1-2-3-10-15-16(21)14-11-7-12-19-17(14)20(18(15)22)13-8-5-4-6-9-13/h2,4-9,11-12,21H,1,3,10H2
InChIKeyQXPJNXVVWFMBFK-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.21
Rot. Bonds4

About 3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one

3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 54737812) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
PubChem CID54737812
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
SMILESC=CCCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C18H16N2O2/c1-2-3-10-15-16(21)14-11-7-12-19-17(14)20(18(15)22)13-8-5-4-6-9-13/h2,4-9,11-12,21H,1,3,10H2
InChIKeyQXPJNXVVWFMBFK-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.21
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 3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one (CID 54737812) is 3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one is C=CCCc1c(O)c2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is QXPJNXVVWFMBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-3-10-15-16(21)14-11-7-12-19-17(14)20(18(15)22)13-8-5-4-6-9-13/h2,4-9,11-12,21H,1,3,10H2.
What are the key properties of 3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one?
3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54737812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).