N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide

C18H20N4O — CID 77093849

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H20N4O/c1-12-15(13(2)21-20-12)10-11-22(3)18(23)17-9-8-14-6-4-5-7-16(14)19-17/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyOZMCJXASTYDNNY-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.89
Rot. Bonds4

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide (PubChem CID 77093849) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide
PubChem CID77093849
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C18H20N4O/c1-12-15(13(2)21-20-12)10-11-22(3)18(23)17-9-8-14-6-4-5-7-16(14)19-17/h4-9H,10-11H2,1-3H3,(H,20,21)
InChIKeyOZMCJXASTYDNNY-UHFFFAOYSA-N
XLogP2.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
CID 29096537
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
N-(3-hydroxypropyl)-N-methylquinoline-2-carboxamide
CID 114230507
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 166207351
N-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline-2-carboxamide
CID 43546417
N-(2-bromopropyl)-N-methylquinoline-2-carboxamide
CID 80665612
5-chloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2-dimethylbenzamide
CID 77079296
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 77083511
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyridin-2-ylacetamide
CID 77085816
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)propanamide
CID 119070947
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylquinoline-2-carboxamide
CID 71885341

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide (CID 77093849) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide is Cc1n[nH]c(C)c1CCN(C)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide?
The InChIKey is OZMCJXASTYDNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-15(13(2)21-20-12)10-11-22(3)18(23)17-9-8-14-6-4-5-7-16(14)19-17/h4-9H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 77093849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).