4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide

C15H18ClN3O — CID 63376386

IUPAC4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
SMILESCC(CNC(=O)c1cc(Cl)c2ccccc2n1)N(C)C
InChIInChI=1S/C15H18ClN3O/c1-10(19(2)3)9-17-15(20)14-8-12(16)11-6-4-5-7-13(11)18-14/h4-8,10H,9H2,1-3H3,(H,17,20)
InChIKeyFLQFSTBVGUAMET-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.57
Rot. Bonds4

About 4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide

4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide (PubChem CID 63376386) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
PubChem CID63376386
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
SMILESCC(CNC(=O)c1cc(Cl)c2ccccc2n1)N(C)C
InChIInChI=1S/C15H18ClN3O/c1-10(19(2)3)9-17-15(20)14-8-12(16)11-6-4-5-7-13(11)18-14/h4-8,10H,9H2,1-3H3,(H,17,20)
InChIKeyFLQFSTBVGUAMET-UHFFFAOYSA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
CID 79249088
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
CID 113465028
(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009434
4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
CID 55184889
N-[2-(dimethylamino)propyl]-2-hydrazinylquinoline-4-carboxamide
CID 62247663
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
4-chloro-N-methyl-N-pentylquinoline-2-carboxamide
CID 63376032

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide (CID 63376386) is 4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide is CC(CNC(=O)c1cc(Cl)c2ccccc2n1)N(C)C.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide?
The InChIKey is FLQFSTBVGUAMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(19(2)3)9-17-15(20)14-8-12(16)11-6-4-5-7-13(11)18-14/h4-8,10H,9H2,1-3H3,(H,17,20).
What are the key properties of 4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide?
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide is sourced from PubChem (CID 63376386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).