2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide

C16H20ClN3O — CID 2308981

IUPAC2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C16H20ClN3O/c1-3-20(4-2)10-9-18-16(21)13-11-12-7-5-6-8-14(12)19-15(13)17/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyGKMBRXUTSSCQHK-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.96
Rot. Bonds6

About 2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide

2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide (PubChem CID 2308981) 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-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
PubChem CID2308981
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C16H20ClN3O/c1-3-20(4-2)10-9-18-16(21)13-11-12-7-5-6-8-14(12)19-15(13)17/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,21)
InChIKeyGKMBRXUTSSCQHK-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

2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677
N-[2-(diethylamino)ethyl]-3-methylacridine-4-carboxamide
CID 143617146
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
2-[(2-chloroquinolin-3-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683083
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
N-[2-(diethylamino)ethyl]-2-(2,2,2-trifluoroethoxy)quinoline-4-carboxamide
CID 155529565

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide (CID 2308981) is 2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide is CCN(CC)CCNC(=O)c1cc2ccccc2nc1Cl.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide?
The InChIKey is GKMBRXUTSSCQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-20(4-2)10-9-18-16(21)13-11-12-7-5-6-8-14(12)19-15(13)17/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-3-carboxamide?
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-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-3-carboxamide is sourced from PubChem (CID 2308981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).