1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one

C13H17ClN2O — CID 156864912

IUPAC1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCc2cc(Cl)ncc2C1
InChIInChI=1S/C13H17ClN2O/c1-9(2)5-13(17)16-4-3-10-6-12(14)15-7-11(10)8-16/h6-7,9H,3-5,8H2,1-2H3
InChIKeyGYUPSIGBKIBAOP-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.67
Rot. Bonds2

About 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one

1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one (PubChem CID 156864912) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one
PubChem CID156864912
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCc2cc(Cl)ncc2C1
InChIInChI=1S/C13H17ClN2O/c1-9(2)5-13(17)16-4-3-10-6-12(14)15-7-11(10)8-16/h6-7,9H,3-5,8H2,1-2H3
InChIKeyGYUPSIGBKIBAOP-UHFFFAOYSA-N
XLogP2.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 6-chloro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 83844719
2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557225
N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 88578323
1-(6-tert-butyl-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxyethanone
CID 134595658
3-methyl-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)butan-1-one
CID 112535720
3-methyl-1-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
CID 110240958
1-[2-[(3S)-1-acetylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-one
CID 92579001
3-methyl-1-[2-[(2R)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92578997
3-amino-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 119693122
1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one
CID 130641997
4-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-1-one
CID 81071376
N-methyl-2-(3-methylbutanoyl)-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70708718

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one (CID 156864912) is 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCc2cc(Cl)ncc2C1.
What is the InChIKey of 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one?
The InChIKey is GYUPSIGBKIBAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9(2)5-13(17)16-4-3-10-6-12(14)15-7-11(10)8-16/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one?
1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one has a molecular weight of 252.75 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one is sourced from PubChem (CID 156864912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).