N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide

C25H22N2O2 — CID 167571163

IUPACN-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
SMILESCc1ccccc1CCNC(=O)c1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C25H22N2O2/c1-18-7-2-3-8-19(18)13-15-27-25(28)20-9-6-10-21(17-20)29-24-14-16-26-23-12-5-4-11-22(23)24/h2-12,14,16-17H,13,15H2,1H3,(H,27,28)
InChIKeyROGLORYFHAOOBZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.31
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide

N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide (PubChem CID 167571163) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
PubChem CID167571163
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
SMILESCc1ccccc1CCNC(=O)c1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C25H22N2O2/c1-18-7-2-3-8-19(18)13-15-27-25(28)20-9-6-10-21(17-20)29-24-14-16-26-23-12-5-4-11-22(23)24/h2-12,14,16-17H,13,15H2,1H3,(H,27,28)
InChIKeyROGLORYFHAOOBZ-UHFFFAOYSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 155779033
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide
CID 167583586
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 167695764
N-[(2-chlorophenyl)methyl]-3-[6-[4-[3-[(2-methoxyphenyl)methylcarbamoyl]phenoxy]quinolin-2-yl]quinolin-4-yl]oxybenzamide
CID 155778894
4-(3-methylphenoxy)quinoline
CID 12798303
N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide
CID 155778849
N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide
CID 167542689
3-carbamothioyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79754667
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837884
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide
CID 171350090

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide (CID 167571163) is N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide is Cc1ccccc1CCNC(=O)c1cccc(Oc2ccnc3ccccc23)c1.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide?
The InChIKey is ROGLORYFHAOOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-18-7-2-3-8-19(18)13-15-27-25(28)20-9-6-10-21(17-20)29-24-14-16-26-23-12-5-4-11-22(23)24/h2-12,14,16-17H,13,15H2,1H3,(H,27,28).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide?
N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 5.31, 6 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]-3-quinolin-4-yloxybenzamide is sourced from PubChem (CID 167571163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).