N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C21H22N2O3 — CID 664354

IUPACN-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1OC
InChIInChI=1S/C21H22N2O3/c1-4-23(21(25)17-10-5-6-11-18(17)26-3)13-16-12-15-9-7-8-14(2)19(15)22-20(16)24/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyZMFRGUZEBKHUTN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.51
Rot. Bonds5

About N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 664354) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID664354
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1OC
InChIInChI=1S/C21H22N2O3/c1-4-23(21(25)17-10-5-6-11-18(17)26-3)13-16-12-15-9-7-8-14(2)19(15)22-20(16)24/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyZMFRGUZEBKHUTN-UHFFFAOYSA-N
XLogP3.51
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 664354) is N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1OC.
What is the InChIKey of N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is ZMFRGUZEBKHUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-23(21(25)17-10-5-6-11-18(17)26-3)13-16-12-15-9-7-8-14(2)19(15)22-20(16)24/h5-12H,4,13H2,1-3H3,(H,22,24).
What are the key properties of N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 664354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).