N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide

C21H22N2O2 — CID 856140

IUPACN-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-14(2)12-16-13-19(18-6-4-5-7-20(18)22-16)21(24)23-15-8-10-17(25-3)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,23,24)
InChIKeyYYPIRLSZECYZHW-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.69
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide

N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 856140) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID856140
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-14(2)12-16-13-19(18-6-4-5-7-20(18)22-16)21(24)23-15-8-10-17(25-3)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,23,24)
InChIKeyYYPIRLSZECYZHW-UHFFFAOYSA-N
XLogP4.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide (CID 856140) is N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide is COc1ccc(NC(=O)c2cc(CC(C)C)nc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is YYPIRLSZECYZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14(2)12-16-13-19(18-6-4-5-7-20(18)22-16)21(24)23-15-8-10-17(25-3)11-9-15/h4-11,13-14H,12H2,1-3H3,(H,23,24).
What are the key properties of N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide?
N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 856140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).