N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide

C17H22ClN3O — CID 42743628

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H22ClN3O/c1-12(2)17(22)21(3)10-4-8-19-15-7-9-20-16-11-13(18)5-6-14(15)16/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,20)
InChIKeyVOJGWXHTPYJLDY-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.80
Rot. Bonds6

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide (PubChem CID 42743628) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide
PubChem CID42743628
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H22ClN3O/c1-12(2)17(22)21(3)10-4-8-19-15-7-9-20-16-11-13(18)5-6-14(15)16/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,20)
InChIKeyVOJGWXHTPYJLDY-UHFFFAOYSA-N
XLogP3.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Chloroquine
CID 2719
Chloroquine Phosphate
CID 64927
Hydroxychloroquine
CID 3652
Hydroxychloroquine Sulfate
CID 12947
(+-)-Desethylhydroxychloroquine
CID 71826
(+-)-Desethylchloroquine
CID 95478
(+-)-Chloroquine diphosphate
CID 83818
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441
Sontoquine
CID 66553
Ro 41-3118
CID 408190

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide (CID 42743628) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide?
The InChIKey is VOJGWXHTPYJLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-12(2)17(22)21(3)10-4-8-19-15-7-9-20-16-11-13(18)5-6-14(15)16/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide has a molecular weight of 319.84 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 42743628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).