8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide

C15H18ClN3O — CID 53016674

IUPAC8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(N(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C15H18ClN3O/c1-9(2)17-15(20)11-8-13(19(3)4)18-14-10(11)6-5-7-12(14)16/h5-9H,1-4H3,(H,17,20)
InChIKeyNYDFHXYCYPDXBZ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.09
Rot. Bonds3

About 8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide

8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide (PubChem CID 53016674) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide
PubChem CID53016674
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide
SMILESCC(C)NC(=O)c1cc(N(C)C)nc2c(Cl)cccc12
InChIInChI=1S/C15H18ClN3O/c1-9(2)17-15(20)11-8-13(19(3)4)18-14-10(11)6-5-7-12(14)16/h5-9H,1-4H3,(H,17,20)
InChIKeyNYDFHXYCYPDXBZ-UHFFFAOYSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-8-chloro-2-methylquinoline-4-carboxamide
CID 53016160
8-chloro-N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 133132370
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
CID 82448971
8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide
CID 53016644
2-tert-butyl-8-chloroquinoline-4-carbohydrazide
CID 82449002
3-chloro-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 142678332
4-(2-chloroanilino)-N-propan-2-ylthieno[3,2-c]quinoline-6-carboxamide
CID 51037077
8-chloro-N-[(E)-4-methylpentan-2-ylideneamino]-2-phenylquinoline-4-carboxamide
CID 17349846
1-(2-chlorophenyl)-N-propan-2-ylisoquinoline-3-carboxamide
CID 10925336
8-chloro-2-(4-propan-2-ylphenyl)quinoline-4-carbonyl chloride
CID 46779481
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide?
The IUPAC name of 8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide (CID 53016674) is 8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide?
The canonical SMILES for 8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide is CC(C)NC(=O)c1cc(N(C)C)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide?
The InChIKey is NYDFHXYCYPDXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9(2)17-15(20)11-8-13(19(3)4)18-14-10(11)6-5-7-12(14)16/h5-9H,1-4H3,(H,17,20).
What are the key properties of 8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide?
8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 53016674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).