2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide

C13H14ClN3O2 — CID 81082757

IUPAC2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C13H14ClN3O2/c1-19-7-10(15)13(18)17-11-6-9(14)5-8-3-2-4-16-12(8)11/h2-6,10H,7,15H2,1H3,(H,17,18)
InChIKeyPLNWQURQZGQKSO-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.80
Rot. Bonds4

About 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide

2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide (PubChem CID 81082757) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide
PubChem CID81082757
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C13H14ClN3O2/c1-19-7-10(15)13(18)17-11-6-9(14)5-8-3-2-4-16-12(8)11/h2-6,10H,7,15H2,1H3,(H,17,18)
InChIKeyPLNWQURQZGQKSO-UHFFFAOYSA-N
XLogP1.80
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide 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-amino-N-(6-chloroquinolin-8-yl)pentanamide
CID 43698605
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
2-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxypropanamide
CID 81082949
3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 79286732
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
2-[(6-chloroquinolin-8-yl)amino]butanoic acid
CID 113292361
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide
CID 81082919
3-amino-N-(6-chloroquinolin-8-yl)benzamide
CID 43698580
1-(aminomethyl)-N-(6-chloroquinolin-8-yl)cyclopentane-1-carboxamide
CID 115434790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide (CID 81082757) is 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide is COCC(N)C(=O)Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide?
The InChIKey is PLNWQURQZGQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-19-7-10(15)13(18)17-11-6-9(14)5-8-3-2-4-16-12(8)11/h2-6,10H,7,15H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide?
2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide has a molecular weight of 279.73 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloroquinolin-8-yl)-3-methoxypropanamide is sourced from PubChem (CID 81082757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).