1-butyl-2-methyl-1,8-naphthyridin-4-one

C13H16N2O — CID 150875994

IUPAC1-butyl-2-methyl-1,8-naphthyridin-4-one
SMILESCCCCn1c(C)cc(=O)c2cccnc21
InChIInChI=1S/C13H16N2O/c1-3-4-8-15-10(2)9-12(16)11-6-5-7-14-13(11)15/h5-7,9H,3-4,8H2,1-2H3
InChIKeyKVACIFUDRJONMB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.51
Rot. Bonds3

About 1-butyl-2-methyl-1,8-naphthyridin-4-one

1-butyl-2-methyl-1,8-naphthyridin-4-one (PubChem CID 150875994) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-butyl-2-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-butyl-2-methyl-1,8-naphthyridin-4-one
PubChem CID150875994
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-butyl-2-methyl-1,8-naphthyridin-4-one
SMILESCCCCn1c(C)cc(=O)c2cccnc21
InChIInChI=1S/C13H16N2O/c1-3-4-8-15-10(2)9-12(16)11-6-5-7-14-13(11)15/h5-7,9H,3-4,8H2,1-2H3
InChIKeyKVACIFUDRJONMB-UHFFFAOYSA-N
XLogP2.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
CID 54734724
3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
CID 139946679
1-butyl-2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyridin-4-one
CID 156776485
1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22106066
4-phenyl-1-propyl-1,8-naphthyridin-2-one
CID 18969191
2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271647
methyl 2-(1-butylpyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 58719772
6-methyl-N-(2-methylphenyl)-4-oxo-1-pentyl-2-pyridin-2-ylpyridine-3-carboxamide
CID 23040237
phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate
CID 139924711
2-(hydroxymethyl)-6-methyl-1-octyl-3-phenylmethoxypyridin-4-one
CID 156776486
1-bromobutane;1-(pyridin-2-ylmethyl)pyrido[2,3-d][1,3]oxazine-2,4-dione
CID 161335663
1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-(2,4,6-trimethoxyphenyl)urea
CID 139946697

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-butyl-2-methyl-1,8-naphthyridin-4-one (CID 150875994) is 1-butyl-2-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-butyl-2-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-butyl-2-methyl-1,8-naphthyridin-4-one is CCCCn1c(C)cc(=O)c2cccnc21.
What is the InChIKey of 1-butyl-2-methyl-1,8-naphthyridin-4-one?
The InChIKey is KVACIFUDRJONMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-4-8-15-10(2)9-12(16)11-6-5-7-14-13(11)15/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 1-butyl-2-methyl-1,8-naphthyridin-4-one?
1-butyl-2-methyl-1,8-naphthyridin-4-one has a molecular weight of 216.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 150875994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).