2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide

C15H20N4O — CID 103000785

IUPAC2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1ccnc2cc(N)ccc12
InChIInChI=1S/C15H20N4O/c1-3-8-19(10-15(20)17-2)14-6-7-18-13-9-11(16)4-5-12(13)14/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,20)
InChIKeyOCGWUUYROXRQFL-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.78
Rot. Bonds5

About 2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide

2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide (PubChem CID 103000785) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide
PubChem CID103000785
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1ccnc2cc(N)ccc12
InChIInChI=1S/C15H20N4O/c1-3-8-19(10-15(20)17-2)14-6-7-18-13-9-11(16)4-5-12(13)14/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,20)
InChIKeyOCGWUUYROXRQFL-UHFFFAOYSA-N
XLogP1.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
CID 103000007
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
2-(2-amino-5-fluoro-4-iodo-N-propylanilino)-N-methylacetamide
CID 66100295
3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
CID 106914151
2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide
CID 82817459
N'-propyl-N'-quinolin-4-ylethane-1,2-diamine
CID 55241600
3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
CID 103000936
2-[(7-aminoquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106780
2-(5-bromo-2-formyl-N-propylanilino)-N-methylacetamide
CID 54984775
3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide
CID 103000927
2-(2-amino-N-propyl-3-sulfamoylanilino)-N-methylacetamide
CID 115992518
2-(2-bromo-4-cyano-N-propylanilino)-N-methylacetamide
CID 82797275

Frequently Asked Questions

What is the IUPAC name of 2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide (CID 103000785) is 2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1ccnc2cc(N)ccc12.
What is the InChIKey of 2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide?
The InChIKey is OCGWUUYROXRQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-8-19(10-15(20)17-2)14-6-7-18-13-9-11(16)4-5-12(13)14/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide?
2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide has a molecular weight of 272.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-aminoquinolin-4-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 103000785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).