1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one

C19H20N2O2 — CID 54726749

IUPAC1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one
SMILESCCCCc1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H20N2O2/c1-2-3-10-16-17(22)15-11-7-12-20-18(15)21(19(16)23)13-14-8-5-4-6-9-14/h4-9,11-12,22H,2-3,10,13H2,1H3
InChIKeyAPNKYBUIHOBOGG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.49
Rot. Bonds5

About 1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one

1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one (PubChem CID 54726749) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one
PubChem CID54726749
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one
SMILESCCCCc1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H20N2O2/c1-2-3-10-16-17(22)15-11-7-12-20-18(15)21(19(16)23)13-14-8-5-4-6-9-14/h4-9,11-12,22H,2-3,10,13H2,1H3
InChIKeyAPNKYBUIHOBOGG-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one?
The IUPAC name of 1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one (CID 54726749) is 1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one?
The canonical SMILES for 1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one is CCCCc1c(O)c2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one?
The InChIKey is APNKYBUIHOBOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-3-10-16-17(22)15-11-7-12-20-18(15)21(19(16)23)13-14-8-5-4-6-9-14/h4-9,11-12,22H,2-3,10,13H2,1H3.
What are the key properties of 1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one?
1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-butyl-4-hydroxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 54726749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).