1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one

C13H17ClN2O — CID 11218977

IUPAC1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one
SMILESCCCCN1CCC(=O)c2c1cc(C)nc2Cl
InChIInChI=1S/C13H17ClN2O/c1-3-4-6-16-7-5-11(17)12-10(16)8-9(2)15-13(12)14/h8H,3-7H2,1-2H3
InChIKeyYLVKJZJSBCPERB-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.24
Rot. Bonds3

About 1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one

1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one (PubChem CID 11218977) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one
PubChem CID11218977
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one
SMILESCCCCN1CCC(=O)c2c1cc(C)nc2Cl
InChIInChI=1S/C13H17ClN2O/c1-3-4-6-16-7-5-11(17)12-10(16)8-9(2)15-13(12)14/h8H,3-7H2,1-2H3
InChIKeyYLVKJZJSBCPERB-UHFFFAOYSA-N
XLogP3.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-((3-chlorophenyl)ethynyl)-6-isopropyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 53248879
2-((3-chlorophenyl)ethynyl)-6-methyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54580598
2-((2-chlorophenyl)ethynyl)-6-methyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54584541
2-((4-chlorophenyl)ethynyl)-6-methyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54587484
2-Chloro-5,6,7,8-tetrahydroquinolin-5-one
CID 592839
2-((2-chlorophenyl)ethynyl)-6-isopropyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54582598
2-((4-chlorophenyl)ethynyl)-6-isopropyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 54584542
4-Chloro-5,6,7,8-tetrahydroquinolin-5-one
CID 73554431
6-Chloro-7-(dimethylamino)-2-methyl-quinoline-5,8-dione
CID 155519005
6-Chloro-2-methyl-7-piperidin-1-ylquinoline-5,8-dione
CID 155526859
7-Chloro-2-methyl-6-(1-piperidyl)quinoline-5,8-dione
CID 155536846
2,5-dichloro-N,4,6-trimethyl-N-phenylpyridine-3-carboxamide
CID 715218

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one?
The IUPAC name of 1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one (CID 11218977) is 1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one.
What is the SMILES notation for 1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one?
The canonical SMILES for 1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one is CCCCN1CCC(=O)c2c1cc(C)nc2Cl.
What is the InChIKey of 1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one?
The InChIKey is YLVKJZJSBCPERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-3-4-6-16-7-5-11(17)12-10(16)8-9(2)15-13(12)14/h8H,3-7H2,1-2H3.
What are the key properties of 1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one?
1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one has a molecular weight of 252.74 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-chloro-7-methyl-2,3-dihydro-1,6-naphthyridin-4-one is sourced from PubChem (CID 11218977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).