2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one

C14H16N2O2 — CID 116567245

IUPAC2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one
SMILESCOCCC(N)C(=O)c1ccc2cccnc2c1
InChIInChI=1S/C14H16N2O2/c1-18-8-6-12(15)14(17)11-5-4-10-3-2-7-16-13(10)9-11/h2-5,7,9,12H,6,8,15H2,1H3
InChIKeyHPGQPAXSMRRGCG-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.78
Rot. Bonds5

About 2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one

2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one (PubChem CID 116567245) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one
PubChem CID116567245
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one
SMILESCOCCC(N)C(=O)c1ccc2cccnc2c1
InChIInChI=1S/C14H16N2O2/c1-18-8-6-12(15)14(17)11-5-4-10-3-2-7-16-13(10)9-11/h2-5,7,9,12H,6,8,15H2,1H3
InChIKeyHPGQPAXSMRRGCG-UHFFFAOYSA-N
XLogP1.78
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-methoxy-1-quinolin-7-ylbutan-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

2-(2-methoxyethoxy)-1-quinolin-7-ylethanone
CID 114032528
2-amino-1-(3,4-dimethylphenyl)-4-methoxybutan-1-one
CID 116567299
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366
2-amino-3-methoxy-1-naphthalen-2-ylpropan-1-one
CID 116594058
2-amino-5-methoxy-1-(2-methylquinolin-6-yl)pentan-1-one
CID 116593733
(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
CID 102950015
2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
CID 116567442
2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one
CID 114607534
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
N-(2-aminoethyl)quinoline-7-carboxamide
CID 142187430
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxybutan-1-one
CID 107290956
3-amino-4-methoxy-2-quinolin-7-yloxybutan-1-ol
CID 107313486

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one (CID 116567245) is 2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one is COCCC(N)C(=O)c1ccc2cccnc2c1.
What is the InChIKey of 2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one?
The InChIKey is HPGQPAXSMRRGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-8-6-12(15)14(17)11-5-4-10-3-2-7-16-13(10)9-11/h2-5,7,9,12H,6,8,15H2,1H3.
What are the key properties of 2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one?
2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one has a molecular weight of 244.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one is sourced from PubChem (CID 116567245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).