N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide

C21H26N4O — CID 70711760

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)N(C)CCc3c(C)n[nH]c3C)c2c1
InChIInChI=1S/C21H26N4O/c1-12-9-13(2)20-18(10-12)19(11-14(3)22-20)21(26)25(6)8-7-17-15(4)23-24-16(17)5/h9-11H,7-8H2,1-6H3,(H,23,24)
InChIKeyYBLJFHBCMOYHFN-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.81
Rot. Bonds4

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide (PubChem CID 70711760) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide
PubChem CID70711760
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(C)cc(C(=O)N(C)CCc3c(C)n[nH]c3C)c2c1
InChIInChI=1S/C21H26N4O/c1-12-9-13(2)20-18(10-12)19(11-14(3)22-20)21(26)25(6)8-7-17-15(4)23-24-16(17)5/h9-11H,7-8H2,1-6H3,(H,23,24)
InChIKeyYBLJFHBCMOYHFN-UHFFFAOYSA-N
XLogP3.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide (CID 70711760) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide is Cc1cc(C)c2nc(C)cc(C(=O)N(C)CCc3c(C)n[nH]c3C)c2c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide?
The InChIKey is YBLJFHBCMOYHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-12-9-13(2)20-18(10-12)19(11-14(3)22-20)21(26)25(6)8-7-17-15(4)23-24-16(17)5/h9-11H,7-8H2,1-6H3,(H,23,24).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2,6,8-tetramethylquinoline-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.81, 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,2,6,8-tetramethylquinoline-4-carboxamide is sourced from PubChem (CID 70711760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).