2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide

C15H18ClN3O2 — CID 81071022

IUPAC2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H18ClN3O2/c1-21-9-3-5-12(17)15(20)19-13-7-6-11(16)14-10(13)4-2-8-18-14/h2,4,6-8,12H,3,5,9,17H2,1H3,(H,19,20)
InChIKeyRIWQCGMNEWBFPW-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.58
Rot. Bonds6

About 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide

2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide (PubChem CID 81071022) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide
PubChem CID81071022
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1ccc(Cl)c2ncccc12
InChIInChI=1S/C15H18ClN3O2/c1-21-9-3-5-12(17)15(20)19-13-7-6-11(16)14-10(13)4-2-8-18-14/h2,4,6-8,12H,3,5,9,17H2,1H3,(H,19,20)
InChIKeyRIWQCGMNEWBFPW-UHFFFAOYSA-N
XLogP2.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide 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

3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
CID 106111764
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
2-amino-N-(2-chloro-5-methoxyphenyl)-5-methoxypentanamide
CID 81089395
4-amino-5-[(8-methylquinolin-5-yl)amino]-5-oxopentanoic acid
CID 64895232
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-N-(2,5-dichloro-4-methylphenyl)-5-methoxypentanamide
CID 104727023
2-amino-5-methoxy-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81082297
2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-5-methoxypentanamide
CID 81102079
2-amino-N-(2-chloro-4-nitrophenyl)-5-methoxypentanamide
CID 81083150
2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide
CID 81086132
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide (CID 81071022) is 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1ccc(Cl)c2ncccc12.
What is the InChIKey of 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide?
The InChIKey is RIWQCGMNEWBFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-21-9-3-5-12(17)15(20)19-13-7-6-11(16)14-10(13)4-2-8-18-14/h2,4,6-8,12H,3,5,9,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide?
2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide has a molecular weight of 307.78 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(8-chloroquinolin-5-yl)-5-methoxypentanamide is sourced from PubChem (CID 81071022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).