N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide

C27H26N2O2 — CID 22578073

IUPACN-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
SMILESCc1ccc(COc2cc(C(=O)NCCc3ccccc3C)c3ccccc3n2)cc1
InChIInChI=1S/C27H26N2O2/c1-19-11-13-21(14-12-19)18-31-26-17-24(23-9-5-6-10-25(23)29-26)27(30)28-16-15-22-8-4-3-7-20(22)2/h3-14,17H,15-16,18H2,1-2H3,(H,28,30)
InChIKeyDRFTWEIAQJHZMF-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.40
Rot. Bonds7

About N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide

N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide (PubChem CID 22578073) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
PubChem CID22578073
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
SMILESCc1ccc(COc2cc(C(=O)NCCc3ccccc3C)c3ccccc3n2)cc1
InChIInChI=1S/C27H26N2O2/c1-19-11-13-21(14-12-19)18-31-26-17-24(23-9-5-6-10-25(23)29-26)27(30)28-16-15-22-8-4-3-7-20(22)2/h3-14,17H,15-16,18H2,1-2H3,(H,28,30)
InChIKeyDRFTWEIAQJHZMF-UHFFFAOYSA-N
XLogP5.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methoxy]-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 22578077
N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578030
N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578050
N-[(2-ethoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578064
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22577984
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
N-[2-(4-methylphenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 3491620
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide
CID 119063740
2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4643106

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide (CID 22578073) is N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide is Cc1ccc(COc2cc(C(=O)NCCc3ccccc3C)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
The InChIKey is DRFTWEIAQJHZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-19-11-13-21(14-12-19)18-31-26-17-24(23-9-5-6-10-25(23)29-26)27(30)28-16-15-22-8-4-3-7-20(22)2/h3-14,17H,15-16,18H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide?
N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide is sourced from PubChem (CID 22578073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).