4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one

C19H20N2O2 — CID 54735432

IUPAC4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one
SMILESCCCCCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H20N2O2/c1-2-3-5-11-16-17(22)15-12-8-13-20-18(15)21(19(16)23)14-9-6-4-7-10-14/h4,6-10,12-13,22H,2-3,5,11H2,1H3
InChIKeyMWAZMJBLKKWLTG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.82
Rot. Bonds5

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

4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one (PubChem CID 54735432) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one
PubChem CID54735432
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one
SMILESCCCCCc1c(O)c2cccnc2n(-c2ccccc2)c1=O
InChIInChI=1S/C19H20N2O2/c1-2-3-5-11-16-17(22)15-12-8-13-20-18(15)21(19(16)23)14-9-6-4-7-10-14/h4,6-10,12-13,22H,2-3,5,11H2,1H3
InChIKeyMWAZMJBLKKWLTG-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one (CID 54735432) is 4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one is CCCCCc1c(O)c2cccnc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one?
The InChIKey is MWAZMJBLKKWLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-3-5-11-16-17(22)15-12-8-13-20-18(15)21(19(16)23)14-9-6-4-7-10-14/h4,6-10,12-13,22H,2-3,5,11H2,1H3.
What are the key properties of 4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one?
4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-pentyl-1-phenyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 54735432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).