N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C23H24N6O — CID 166392385

IUPACN-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1ccc2c(C(=O)Nc3cnn(C)c3C3CC3)cc(-c3cnn(C)c3)nc2c1C
InChIInChI=1S/C23H24N6O/c1-13-5-8-17-18(23(30)27-20-11-25-29(4)22(20)15-6-7-15)9-19(26-21(17)14(13)2)16-10-24-28(3)12-16/h5,8-12,15H,6-7H2,1-4H3,(H,27,30)
InChIKeyDRKRCURZULJVSL-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.12
Rot. Bonds4

About N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 166392385) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID166392385
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1ccc2c(C(=O)Nc3cnn(C)c3C3CC3)cc(-c3cnn(C)c3)nc2c1C
InChIInChI=1S/C23H24N6O/c1-13-5-8-17-18(23(30)27-20-11-25-29(4)22(20)15-6-7-15)9-19(26-21(17)14(13)2)16-10-24-28(3)12-16/h5,8-12,15H,6-7H2,1-4H3,(H,27,30)
InChIKeyDRKRCURZULJVSL-UHFFFAOYSA-N
XLogP4.12
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 46985716
N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95047395
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
CID 95046294
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone
CID 95047470
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512920
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95046756
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95046755
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518514

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 166392385) is N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is Cc1ccc2c(C(=O)Nc3cnn(C)c3C3CC3)cc(-c3cnn(C)c3)nc2c1C.
What is the InChIKey of N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is DRKRCURZULJVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-13-5-8-17-18(23(30)27-20-11-25-29(4)22(20)15-6-7-15)9-19(26-21(17)14(13)2)16-10-24-28(3)12-16/h5,8-12,15H,6-7H2,1-4H3,(H,27,30).
What are the key properties of N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 166392385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).