N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide

C17H19N3O2 — CID 42940173

IUPACN,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cccc2ncccc12
InChIInChI=1S/C17H19N3O2/c1-19(2)17(22)15-9-5-11-20(15)16(21)13-6-3-8-14-12(13)7-4-10-18-14/h3-4,6-8,10,15H,5,9,11H2,1-2H3
InChIKeyOTQHPRNJFFTIJJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.93
Rot. Bonds2

About N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide

N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 42940173) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID42940173
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cccc2ncccc12
InChIInChI=1S/C17H19N3O2/c1-19(2)17(22)15-9-5-11-20(15)16(21)13-6-3-8-14-12(13)7-4-10-18-14/h3-4,6-8,10,15H,5,9,11H2,1-2H3
InChIKeyOTQHPRNJFFTIJJ-UHFFFAOYSA-N
XLogP1.93
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 107358837
[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124946102
[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124982262
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 127266189
(2R)-1-(2-methylquinoline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 140517997
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110103671
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110107959
1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide
CID 78798763
1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 167765690

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide (CID 42940173) is N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1cccc2ncccc12.
What is the InChIKey of N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is OTQHPRNJFFTIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19(2)17(22)15-9-5-11-20(15)16(21)13-6-3-8-14-12(13)7-4-10-18-14/h3-4,6-8,10,15H,5,9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide?
N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42940173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).