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

C15H18ClN3O — CID 61065277

IUPAC3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H18ClN3O/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,2,6-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyPRHYQHYLMXQJGF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.22
Rot. Bonds6

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

3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide (PubChem CID 61065277) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
PubChem CID61065277
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H18ClN3O/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,2,6-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyPRHYQHYLMXQJGF-UHFFFAOYSA-N
XLogP3.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
CID 103000936
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754
N-butyl-7-chloroquinolin-4-amine
CID 10037042
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 112730857
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
CID 65224478

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide (CID 61065277) is 3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide?
The InChIKey is PRHYQHYLMXQJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/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,2,6-7,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide?
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide has a molecular weight of 291.78 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 61065277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).