2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide

C23H20N6O — CID 19512369

IUPAC2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3nc4ccccc4n3C)c3ccccc3n2)cnn1C
InChIInChI=1S/C23H20N6O/c1-14-17(13-24-29(14)3)20-12-16(15-8-4-5-9-18(15)25-20)22(30)27-23-26-19-10-6-7-11-21(19)28(23)2/h4-13H,1-3H3,(H,26,27,30)
InChIKeyCNYINLXFDSWZGT-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.08
Rot. Bonds3

About 2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide

2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide (PubChem CID 19512369) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide
PubChem CID19512369
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3nc4ccccc4n3C)c3ccccc3n2)cnn1C
InChIInChI=1S/C23H20N6O/c1-14-17(13-24-29(14)3)20-12-16(15-8-4-5-9-18(15)25-20)22(30)27-23-26-19-10-6-7-11-21(19)28(23)2/h4-13H,1-3H3,(H,26,27,30)
InChIKeyCNYINLXFDSWZGT-UHFFFAOYSA-N
XLogP4.08
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-N-(2,6-dimethylquinolin-5-yl)quinoline-4-carboxamide
CID 46971014
N-(2-benzoyl-4-chlorophenyl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512340
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19512586
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
N-[2-(difluoromethoxy)-4-methylphenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512452
2-(1,5-dimethylpyrazol-4-yl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19512590
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512495
2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide
CID 19512593
2-(1,5-dimethylpyrazol-4-yl)-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19512518
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512548
2-(1-ethyl-5-methylpyrazol-4-yl)-N-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 19512303
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512497

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide (CID 19512369) is 2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)Nc3nc4ccccc4n3C)c3ccccc3n2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide?
The InChIKey is CNYINLXFDSWZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-14-17(13-24-29(14)3)20-12-16(15-8-4-5-9-18(15)25-20)22(30)27-23-26-19-10-6-7-11-21(19)28(23)2/h4-13H,1-3H3,(H,26,27,30).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide?
2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).