N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

C23H26N6O — CID 19518649

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NC(C)c3cn(CC)nc3C)c3ccccc3n2)cn1
InChIInChI=1S/C23H26N6O/c1-5-28-13-17(12-24-28)22-11-19(18-9-7-8-10-21(18)26-22)23(30)25-15(3)20-14-29(6-2)27-16(20)4/h7-15H,5-6H2,1-4H3,(H,25,30)
InChIKeyWJSQERIVNZNAAE-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.13
Rot. Bonds6

About N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19518649) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19518649
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NC(C)c3cn(CC)nc3C)c3ccccc3n2)cn1
InChIInChI=1S/C23H26N6O/c1-5-28-13-17(12-24-28)22-11-19(18-9-7-8-10-21(18)26-22)23(30)25-15(3)20-14-29(6-2)27-16(20)4/h7-15H,5-6H2,1-4H3,(H,25,30)
InChIKeyWJSQERIVNZNAAE-UHFFFAOYSA-N
XLogP4.13
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 92627015
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518613
7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19466731
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 19512183
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518466
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518535
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19518649) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide is CCn1cc(-c2cc(C(=O)NC(C)c3cn(CC)nc3C)c3ccccc3n2)cn1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is WJSQERIVNZNAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-5-28-13-17(12-24-28)22-11-19(18-9-7-8-10-21(18)26-22)23(30)25-15(3)20-14-29(6-2)27-16(20)4/h7-15H,5-6H2,1-4H3,(H,25,30).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19518649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).