N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide

C22H24N6O — CID 19515716

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NCc3cnn(C)c3C)c3ccccc3n2)c(C)n1
InChIInChI=1S/C22H24N6O/c1-5-28-13-19(14(2)26-28)21-10-18(17-8-6-7-9-20(17)25-21)22(29)23-11-16-12-24-27(4)15(16)3/h6-10,12-13H,5,11H2,1-4H3,(H,23,29)
InChIKeyZWIQBUYFIAWCRI-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.40
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19515716) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19515716
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NCc3cnn(C)c3C)c3ccccc3n2)c(C)n1
InChIInChI=1S/C22H24N6O/c1-5-28-13-19(14(2)26-28)21-10-18(17-8-6-7-9-20(17)25-21)22(29)23-11-16-12-24-27(4)15(16)3/h6-10,12-13H,5,11H2,1-4H3,(H,23,29)
InChIKeyZWIQBUYFIAWCRI-UHFFFAOYSA-N
XLogP3.40
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19511661
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 19511666
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511608
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)-N-methylquinoline-4-carboxamide
CID 19583231
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19512084
[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol
CID 66509490
2-(1,5-dimethylpyrazol-4-yl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]quinoline-4-carboxamide
CID 19512590
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]quinoline-4-carboxamide
CID 19511597
2-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19511541
2-(1,5-dimethylpyrazol-4-yl)-N-(3-pyrazol-1-ylpropyl)quinoline-4-carboxamide
CID 19512593

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19515716) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)NCc3cnn(C)c3C)c3ccccc3n2)c(C)n1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is ZWIQBUYFIAWCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-5-28-13-19(14(2)26-28)21-10-18(17-8-6-7-9-20(17)25-21)22(29)23-11-16-12-24-27(4)15(16)3/h6-10,12-13H,5,11H2,1-4H3,(H,23,29).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19515716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).