6-chloro-N,N-diethylquinoline-3-carboxamide

C14H15ClN2O — CID 110490164

IUPAC6-chloro-N,N-diethylquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1
InChIInChI=1S/C14H15ClN2O/c1-3-17(4-2)14(18)11-7-10-8-12(15)5-6-13(10)16-9-11/h5-9H,3-4H2,1-2H3
InChIKeyQLVQVFWSHAMUBE-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.37
Rot. Bonds3

About 6-chloro-N,N-diethylquinoline-3-carboxamide

6-chloro-N,N-diethylquinoline-3-carboxamide (PubChem CID 110490164) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 6-chloro-N,N-diethylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-diethylquinoline-3-carboxamide
PubChem CID110490164
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name6-chloro-N,N-diethylquinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1
InChIInChI=1S/C14H15ClN2O/c1-3-17(4-2)14(18)11-7-10-8-12(15)5-6-13(10)16-9-11/h5-9H,3-4H2,1-2H3
InChIKeyQLVQVFWSHAMUBE-UHFFFAOYSA-N
XLogP3.37
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloroquinoline-3-carboxylic acid
CID 14241492
N,N-diethyl-6,8-difluoroquinoline-3-carboxamide
CID 110490005
7-chloro-N,N-diethylquinoline-2-carboxamide
CID 110490272
3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106831
5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide
CID 109238491
3-N-(4-chlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106769
2-(3,5-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262446
2-[2-(4-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109261431
5,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 78970727
2-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyrimidine-5-carboxamide
CID 109262350
6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide
CID 71825108
2-(3,4-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262443

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N,N-diethylquinoline-3-carboxamide (CID 110490164) is 6-chloro-N,N-diethylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N,N-diethylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N,N-diethylquinoline-3-carboxamide is CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1.
What is the InChIKey of 6-chloro-N,N-diethylquinoline-3-carboxamide?
The InChIKey is QLVQVFWSHAMUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-3-17(4-2)14(18)11-7-10-8-12(15)5-6-13(10)16-9-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethylquinoline-3-carboxamide?
6-chloro-N,N-diethylquinoline-3-carboxamide has a molecular weight of 262.74 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethylquinoline-3-carboxamide is sourced from PubChem (CID 110490164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).