N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide

C29H30N2O4 — CID 1459246

IUPACN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)c3ccccc3OC)cc2c1
InChIInChI=1S/C29H30N2O4/c1-4-35-24-13-14-26-22(18-24)17-23(28(32)30-26)19-31(16-15-21-10-6-5-9-20(21)2)29(33)25-11-7-8-12-27(25)34-3/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,30,32)
InChIKeyUQPGWKTVZXGKKJ-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.13
Rot. Bonds9

About N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide

N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide (PubChem CID 1459246) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
PubChem CID1459246
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)c3ccccc3OC)cc2c1
InChIInChI=1S/C29H30N2O4/c1-4-35-24-13-14-26-22(18-24)17-23(28(32)30-26)19-31(16-15-21-10-6-5-9-20(21)2)29(33)25-11-7-8-12-27(25)34-3/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,30,32)
InChIKeyUQPGWKTVZXGKKJ-UHFFFAOYSA-N
XLogP5.13
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide with MolForge

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Related Compounds

1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-[2-(2-methylphenyl)ethyl]urea
CID 3194738
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1427730
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]urea
CID 1437233
N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2067764
N-(4-ethoxyphenyl)-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391190
N-ethyl-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 941055
N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459205
2-ethoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 3442794
3,4,5-trimethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 3752311
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 1459141
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-[2-(2-methylphenyl)ethyl]thiourea
CID 3177212
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3,4,5-trimethoxybenzamide
CID 1459170

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide (CID 1459246) is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide is CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)c3ccccc3OC)cc2c1.
What is the InChIKey of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is UQPGWKTVZXGKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-4-35-24-13-14-26-22(18-24)17-23(28(32)30-26)19-31(16-15-21-10-6-5-9-20(21)2)29(33)25-11-7-8-12-27(25)34-3/h5-14,17-18H,4,15-16,19H2,1-3H3,(H,30,32).
What are the key properties of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide?
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 470.57 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 1459246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).