N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

C21H22N2O3 — CID 1453507

IUPACN-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCOc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(C)=O
InChIInChI=1S/C21H22N2O3/c1-14-8-9-19-17(10-14)11-18(21(25)22-19)13-23(15(2)24)12-16-6-4-5-7-20(16)26-3/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyBXAVTLFFWHNMGJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.39
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 1453507) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID1453507
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCOc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(C)=O
InChIInChI=1S/C21H22N2O3/c1-14-8-9-19-17(10-14)11-18(21(25)22-19)13-23(15(2)24)12-16-6-4-5-7-20(16)26-3/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyBXAVTLFFWHNMGJ-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453499
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449583
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
3-(4-chlorophenyl)-1-[(2-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449582
N-[(2-methoxyphenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide
CID 1467371
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 858519
N-[(2-chlorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459093
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 1458806
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453537
1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1134227
3,4,5-trimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzamide
CID 2030338

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 1453507) is N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is COc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(C)=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is BXAVTLFFWHNMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-8-9-19-17(10-14)11-18(21(25)22-19)13-23(15(2)24)12-16-6-4-5-7-20(16)26-3/h4-11H,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 1453507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).