2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide

C22H24N4O — CID 138996252

IUPAC2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)NC3CCc4nc[nH]c4C3)c2c1
InChIInChI=1S/C22H24N4O/c1-12-7-13(2)21-16(8-12)17(10-19(26-21)14-3-4-14)22(27)25-15-5-6-18-20(9-15)24-11-23-18/h7-8,10-11,14-15H,3-6,9H2,1-2H3,(H,23,24)(H,25,27)
InChIKeySSKVLVXNYKTICV-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.74
Rot. Bonds3

About 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide

2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide (PubChem CID 138996252) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide
PubChem CID138996252
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C3CC3)cc(C(=O)NC3CCc4nc[nH]c4C3)c2c1
InChIInChI=1S/C22H24N4O/c1-12-7-13(2)21-16(8-12)17(10-19(26-21)14-3-4-14)22(27)25-15-5-6-18-20(9-15)24-11-23-18/h7-8,10-11,14-15H,3-6,9H2,1-2H3,(H,23,24)(H,25,27)
InChIKeySSKVLVXNYKTICV-UHFFFAOYSA-N
XLogP3.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-3-(2,2-dimethylpropyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 138998287
3-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]propanoic acid
CID 119351411
4-[(2-cyclopropyl-6,8-dimethylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534817
(2-cyclopropyl-6,8-dimethylquinolin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119491465
4-(difluoromethoxy)-2-fluoro-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)benzamide
CID 136564667
[(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
6-(difluoromethyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrimidine-4-carboxamide
CID 136564670
2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71912680
5-(4-fluorophenyl)-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-1,2-oxazole-3-carboxamide
CID 138996238
8-bromo-2-cyclopropyl-6-methylquinoline-4-carboxylic acid
CID 82184119
6-bromo-2-cyclopropyl-8-methylquinoline-4-carboxylic acid
CID 60984276
2-cyclopropyl-6,8-dimethyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119825097

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide (CID 138996252) is 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide is Cc1cc(C)c2nc(C3CC3)cc(C(=O)NC3CCc4nc[nH]c4C3)c2c1.
What is the InChIKey of 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide?
The InChIKey is SSKVLVXNYKTICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-12-7-13(2)21-16(8-12)17(10-19(26-21)14-3-4-14)22(27)25-15-5-6-18-20(9-15)24-11-23-18/h7-8,10-11,14-15H,3-6,9H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide?
2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6,8-dimethyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 138996252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).