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

C16H20ClN3O — CID 60926754

IUPAC3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3O/c1-3-20(4-2)16(21)8-10-18-14-7-9-19-15-11-12(17)5-6-13(14)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyMDJBFFCBUYGOHL-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.56
Rot. Bonds6

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

3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide (PubChem CID 60926754) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
PubChem CID60926754
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3O/c1-3-20(4-2)16(21)8-10-18-14-7-9-19-15-11-12(17)5-6-13(14)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyMDJBFFCBUYGOHL-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide 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-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
methyl N,N-bis[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]carbamate
CID 155355426
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide
CID 67991877

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide (CID 60926754) is 3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide?
The InChIKey is MDJBFFCBUYGOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-20(4-2)16(21)8-10-18-14-7-9-19-15-11-12(17)5-6-13(14)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide?
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide has a molecular weight of 305.81 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 60926754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).