N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide

C15H18ClN3O — CID 133303992

IUPACN-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1ccnc2ccc(Cl)cc12
InChIInChI=1S/C15H18ClN3O/c1-11(20)17-7-3-9-19(2)15-6-8-18-14-5-4-12(16)10-13(14)15/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,20)
InChIKeyCUMNSYUHQFVFTR-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.85
Rot. Bonds5

About N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide

N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide (PubChem CID 133303992) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
PubChem CID133303992
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
SMILESCC(=O)NCCCN(C)c1ccnc2ccc(Cl)cc12
InChIInChI=1S/C15H18ClN3O/c1-11(20)17-7-3-9-19(2)15-6-8-18-14-5-4-12(16)10-13(14)15/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,20)
InChIKeyCUMNSYUHQFVFTR-UHFFFAOYSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.85
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

5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133339048
N-[3-(3-chloro-N-methylanilino)propyl]acetamide
CID 154166795
2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol
CID 110434356
N-[3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]propyl]acetamide
CID 133303906
N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 55090859
N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
CID 133401980
6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 133463510
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide?
The IUPAC name of N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide (CID 133303992) is N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide?
The canonical SMILES for N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide is CC(=O)NCCCN(C)c1ccnc2ccc(Cl)cc12.
What is the InChIKey of N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide?
The InChIKey is CUMNSYUHQFVFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11(20)17-7-3-9-19(2)15-6-8-18-14-5-4-12(16)10-13(14)15/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,20).
What are the key properties of N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide?
N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide has a molecular weight of 291.78 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide is sourced from PubChem (CID 133303992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).