1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide

C20H23N3O2 — CID 71923022

IUPAC1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCCC3C(N)=O)c2c1
InChIInChI=1S/C20H23N3O2/c1-11-8-12(2)18-14(9-11)15(10-16(22-18)13-5-6-13)20(25)23-7-3-4-17(23)19(21)24/h8-10,13,17H,3-7H2,1-2H3,(H2,21,24)
InChIKeyMRWMTNBMDDHXTN-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.82
Rot. Bonds3

About 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide

1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 71923022) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID71923022
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCCC3C(N)=O)c2c1
InChIInChI=1S/C20H23N3O2/c1-11-8-12(2)18-14(9-11)15(10-16(22-18)13-5-6-13)20(25)23-7-3-4-17(23)19(21)24/h8-10,13,17H,3-7H2,1-2H3,(H2,21,24)
InChIKeyMRWMTNBMDDHXTN-UHFFFAOYSA-N
XLogP2.82
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 119633241
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 119152117
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone
CID 119380047
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119491465
1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119356858
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 120656910
(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120537401
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877928
[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046040
6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
CID 60984276
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
CID 82184119
3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid
CID 119351411

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide (CID 71923022) is 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide is Cc1cc(C)c2nc(C3CC3)cc(C(=O)N3CCCC3C(N)=O)c2c1.
What is the InChIKey of 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is MRWMTNBMDDHXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-11-8-12(2)18-14(9-11)15(10-16(22-18)13-5-6-13)20(25)23-7-3-4-17(23)19(21)24/h8-10,13,17H,3-7H2,1-2H3,(H2,21,24).
What are the key properties of 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide?
1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71923022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).