3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one

C13H16N2O2 — CID 14941472

IUPAC3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one
SMILESCn1c(=O)c(CCCCO)cc2cccnc21
InChIInChI=1S/C13H16N2O2/c1-15-12-10(6-4-7-14-12)9-11(13(15)17)5-2-3-8-16/h4,6-7,9,16H,2-3,5,8H2,1H3
InChIKeyGNZMLOILOIDXFI-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.25
Rot. Bonds4

About 3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one

3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one (PubChem CID 14941472) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one
PubChem CID14941472
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one
SMILESCn1c(=O)c(CCCCO)cc2cccnc21
InChIInChI=1S/C13H16N2O2/c1-15-12-10(6-4-7-14-12)9-11(13(15)17)5-2-3-8-16/h4,6-7,9,16H,2-3,5,8H2,1H3
InChIKeyGNZMLOILOIDXFI-UHFFFAOYSA-N
XLogP1.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.25
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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Related Compounds

N-acetyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)acetamide
CID 139622552
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
dimethyl-[3-[(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]propyl]azanium
CID 7619386
1-methyl-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7619447
2-butyl-1-methylpyrrolo[2,3-b]pyridine
CID 142666149
N,N-bis(2-chloroethyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619271
N-(2,2-dimethylpropanoyl)-2,2-dimethyl-N-(2-oxo-3-propyl-1,8-naphthyridin-1-yl)propanamide
CID 139622487
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619317
N-ethyl-1-methyl-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 18582865
2-(1-methyl-2-oxo-1,8-naphthyridine-3-carbonyl)cyclohexane-1,3-dione
CID 123276386
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
N-(3-ethyl-2-oxo-1,8-naphthyridin-1-yl)-N-propanoylpropanamide
CID 139622725

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one (CID 14941472) is 3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one is Cn1c(=O)c(CCCCO)cc2cccnc21.
What is the InChIKey of 3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one?
The InChIKey is GNZMLOILOIDXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15-12-10(6-4-7-14-12)9-11(13(15)17)5-2-3-8-16/h4,6-7,9,16H,2-3,5,8H2,1H3.
What are the key properties of 3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one?
3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybutyl)-1-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 14941472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).