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

C25H22N2O3 — CID 155779033

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C25H22N2O3/c1-29-23-12-5-2-7-18(23)13-15-27-25(28)19-8-6-9-20(17-19)30-24-14-16-26-22-11-4-3-10-21(22)24/h2-12,14,16-17H,13,15H2,1H3,(H,27,28)
InChIKeyYSVNQPJEDLLQMZ-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.01
Rot. Bonds7

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

N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide (PubChem CID 155779033) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide
PubChem CID155779033
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C25H22N2O3/c1-29-23-12-5-2-7-18(23)13-15-27-25(28)19-8-6-9-20(17-19)30-24-14-16-26-22-11-4-3-10-21(22)24/h2-12,14,16-17H,13,15H2,1H3,(H,27,28)
InChIKeyYSVNQPJEDLLQMZ-UHFFFAOYSA-N
XLogP5.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 167571163
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
N-[(2-chlorophenyl)methyl]-3-[6-[4-[3-[(2-methoxyphenyl)methylcarbamoyl]phenoxy]quinolin-2-yl]quinolin-4-yl]oxybenzamide
CID 155778894
2-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 106262018
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
3-[(4-fluorophenyl)methoxy]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115321
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055063
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109085295
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 167695764
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide (CID 155779033) is N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide is COc1ccccc1CCNC(=O)c1cccc(Oc2ccnc3ccccc23)c1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide?
The InChIKey is YSVNQPJEDLLQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-29-23-12-5-2-7-18(23)13-15-27-25(28)19-8-6-9-20(17-19)30-24-14-16-26-22-11-4-3-10-21(22)24/h2-12,14,16-17H,13,15H2,1H3,(H,27,28).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide?
N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide has a molecular weight of 398.46 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide is sourced from PubChem (CID 155779033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).