3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide

C15H20N4O — CID 103000936

IUPAC3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccnc2cc(N)ccc12
InChIInChI=1S/C15H20N4O/c1-2-7-19-15(20)6-9-17-13-5-8-18-14-10-11(16)3-4-12(13)14/h3-5,8,10H,2,6-7,9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyRWMWEJYQYGSQRA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.15
Rot. Bonds6

About 3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide

3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide (PubChem CID 103000936) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
PubChem CID103000936
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccnc2cc(N)ccc12
InChIInChI=1S/C15H20N4O/c1-2-7-19-15(20)6-9-17-13-5-8-18-14-10-11(16)3-4-12(13)14/h3-5,8,10H,2,6-7,9,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyRWMWEJYQYGSQRA-UHFFFAOYSA-N
XLogP2.15
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
3-[(7-aminoquinolin-4-yl)amino]-N-butan-2-ylpropanamide
CID 103000927
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
7-methyl-N-propylquinolin-4-amine
CID 71072403
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147

Frequently Asked Questions

What is the IUPAC name of 3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide (CID 103000936) is 3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1ccnc2cc(N)ccc12.
What is the InChIKey of 3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide?
The InChIKey is RWMWEJYQYGSQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-7-19-15(20)6-9-17-13-5-8-18-14-10-11(16)3-4-12(13)14/h3-5,8,10H,2,6-7,9,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide?
3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 103000936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).