2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide

C16H20ClN3O — CID 13255244

IUPAC2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H20ClN3O/c1-3-20(4-2)10-9-18-16(21)13-11-15(17)19-14-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyWZBLJANCSMJDSS-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.96
Rot. Bonds6

About 2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide

2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide (PubChem CID 13255244) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
PubChem CID13255244
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C16H20ClN3O/c1-3-20(4-2)10-9-18-16(21)13-11-15(17)19-14-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyWZBLJANCSMJDSS-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide
CID 155529565
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide
CID 155555807
2-chloro-N,N-dipropylquinoline-4-carboxamide
CID 11426314
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677
2-(4-benzylpiperazin-1-yl)-N-[3-(diethylamino)propyl]quinoline-4-carboxamide
CID 46091039
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide (CID 13255244) is 2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide is CCN(CC)CCNC(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
The InChIKey is WZBLJANCSMJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-20(4-2)10-9-18-16(21)13-11-15(17)19-14-8-6-5-7-12(13)14/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide?
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 13255244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).