1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide

C24H29N3O — CID 71482650

IUPAC1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide
SMILESCCC1=C[C@](C)(N2CCCC2C(=O)Nc2ccc3ncccc3c2)C(C)=C1C
InChIInChI=1S/C24H29N3O/c1-5-18-15-24(4,17(3)16(18)2)27-13-7-9-22(27)23(28)26-20-10-11-21-19(14-20)8-6-12-25-21/h6,8,10-12,14-15,22H,5,7,9,13H2,1-4H3,(H,26,28)/t22?,24-/m0/s1
InChIKeyJREONIAOKKDHEI-GITCGBDTSA-N
MW375.52 g/mol
LogP5.08
Rot. Bonds4

About 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide

1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide (PubChem CID 71482650) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide
PubChem CID71482650
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide
SMILESCCC1=C[C@](C)(N2CCCC2C(=O)Nc2ccc3ncccc3c2)C(C)=C1C
InChIInChI=1S/C24H29N3O/c1-5-18-15-24(4,17(3)16(18)2)27-13-7-9-22(27)23(28)26-20-10-11-21-19(14-20)8-6-12-25-21/h6,8,10-12,14-15,22H,5,7,9,13H2,1-4H3,(H,26,28)/t22?,24-/m0/s1
InChIKeyJREONIAOKKDHEI-GITCGBDTSA-N
XLogP5.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide
CID 44818087
2,2-dimethyl-3-(quinolin-6-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835821
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785
ethyl 2-phenyl-3-(quinolin-6-ylcarbamoyl)-3,4-dihydropyrazole-5-carboxylate
CID 56508530
4-methyl-N-quinolin-6-ylpiperidine-2-carboxamide
CID 114423932
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
3-(quinolin-6-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550679
4-amino-N-quinolin-6-ylcyclopent-2-ene-1-carboxamide
CID 79207327
3-ethyl-N-quinolin-6-ylpyrrolidine-3-carboxamide
CID 63141954
1-(2,4-dimethylphenyl)sulfonyl-N-quinolin-6-ylpiperidine-4-carboxamide
CID 71540947
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
3-amino-N-quinolin-6-ylcyclopentane-1-carboxamide;dihydrochloride
CID 119842997

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide (CID 71482650) is 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide is CCC1=C[C@](C)(N2CCCC2C(=O)Nc2ccc3ncccc3c2)C(C)=C1C.
What is the InChIKey of 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide?
The InChIKey is JREONIAOKKDHEI-GITCGBDTSA-N. The full InChI is InChI=1S/C24H29N3O/c1-5-18-15-24(4,17(3)16(18)2)27-13-7-9-22(27)23(28)26-20-10-11-21-19(14-20)8-6-12-25-21/h6,8,10-12,14-15,22H,5,7,9,13H2,1-4H3,(H,26,28)/t22?,24-/m0/s1.
What are the key properties of 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide?
1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4-ethyl-1,2,3-trimethylcyclopenta-2,4-dien-1-yl]-N-quinolin-6-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71482650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).