2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide

C17H21ClN4O2 — CID 53382844

IUPAC2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide
SMILESNc1nc2ccc(Cl)cc2cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H21ClN4O2/c18-13-2-3-15-12(10-13)11-14(16(19)21-15)17(23)20-4-1-5-22-6-8-24-9-7-22/h2-3,10-11H,1,4-9H2,(H2,19,21)(H,20,23)
InChIKeySRPMZCQLVGUQPY-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.92
Rot. Bonds5

About 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide

2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide (PubChem CID 53382844) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide
PubChem CID53382844
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide
SMILESNc1nc2ccc(Cl)cc2cc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C17H21ClN4O2/c18-13-2-3-15-12(10-13)11-14(16(19)21-15)17(23)20-4-1-5-22-6-8-24-9-7-22/h2-3,10-11H,1,4-9H2,(H2,19,21)(H,20,23)
InChIKeySRPMZCQLVGUQPY-UHFFFAOYSA-N
XLogP1.92
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide (CID 53382844) is 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide is Nc1nc2ccc(Cl)cc2cc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide?
The InChIKey is SRPMZCQLVGUQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-13-2-3-15-12(10-13)11-14(16(19)21-15)17(23)20-4-1-5-22-6-8-24-9-7-22/h2-3,10-11H,1,4-9H2,(H2,19,21)(H,20,23).
What are the key properties of 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide?
2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(3-morpholin-4-ylpropyl)quinoline-3-carboxamide is sourced from PubChem (CID 53382844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).