N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide

C21H22N2O2 — CID 100744798

IUPACN-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)N(C)Cc3ccccc3)c2c1
InChIInChI=1S/C21H22N2O2/c1-15-11-16(2)21-18(12-15)23(10-9-19(21)24)14-20(25)22(3)13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3
InChIKeyVAGONNJKDROECR-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.28
Rot. Bonds4

About N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide

N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide (PubChem CID 100744798) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide
PubChem CID100744798
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)N(C)Cc3ccccc3)c2c1
InChIInChI=1S/C21H22N2O2/c1-15-11-16(2)21-18(12-15)23(10-9-19(21)24)14-20(25)22(3)13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3
InChIKeyVAGONNJKDROECR-UHFFFAOYSA-N
XLogP3.28
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100742012
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 100745155
N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744049
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5,7-dimethylquinolin-4-one
CID 100745064
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 100744381
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100745016
N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide
CID 95917583
N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063930
N-benzyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 2708411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide (CID 100744798) is N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide is Cc1cc(C)c2c(=O)ccn(CC(=O)N(C)Cc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide?
The InChIKey is VAGONNJKDROECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-11-16(2)21-18(12-15)23(10-9-19(21)24)14-20(25)22(3)13-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3.
What are the key properties of N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide?
N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide has a molecular weight of 334.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide is sourced from PubChem (CID 100744798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).