N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide

C21H22N2O3 — CID 1459085

IUPACN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(C)=O)cc2c1
InChIInChI=1S/C21H22N2O3/c1-14-4-6-16(7-5-14)12-23(15(2)24)13-18-10-17-11-19(26-3)8-9-20(17)22-21(18)25/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyNLHFALUXUAOSHG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.39
Rot. Bonds5

About N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1459085) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1459085
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(C)=O)cc2c1
InChIInChI=1S/C21H22N2O3/c1-14-4-6-16(7-5-14)12-23(15(2)24)13-18-10-17-11-19(26-3)8-9-20(17)22-21(18)25/h4-11H,12-13H2,1-3H3,(H,22,25)
InChIKeyNLHFALUXUAOSHG-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

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CID 2753
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2-Hydroxy-6-methoxy-4-methylquinoline
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CID 3330477
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 54699372
3-(4-tert-Butylphenyl)-N-(4-methoxyphenyl)acrylamide
CID 680436
N-(Cinnamoyl)-4-methoxyaniline
CID 690965
2-hydroxy-N-(4-methoxybenzyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54676949

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide (CID 1459085) is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide is COc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(C)=O)cc2c1.
What is the InChIKey of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NLHFALUXUAOSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-4-6-16(7-5-14)12-23(15(2)24)13-18-10-17-11-19(26-3)8-9-20(17)22-21(18)25/h4-11H,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide?
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)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-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1459085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).