N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide

C21H22N2O3 — CID 46301475

IUPACN-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCOc1cccc2c(C)cc(=O)n(C(C)C(=O)NCc3ccccc3)c12
InChIInChI=1S/C21H22N2O3/c1-14-12-19(24)23(20-17(14)10-7-11-18(20)26-3)15(2)21(25)22-13-16-8-5-4-6-9-16/h4-12,15H,13H2,1-3H3,(H,22,25)
InChIKeyULLDXVGELQVYSS-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.20
Rot. Bonds5

About N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide

N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 46301475) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
PubChem CID46301475
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCOc1cccc2c(C)cc(=O)n(C(C)C(=O)NCc3ccccc3)c12
InChIInChI=1S/C21H22N2O3/c1-14-12-19(24)23(20-17(14)10-7-11-18(20)26-3)15(2)21(25)22-13-16-8-5-4-6-9-16/h4-12,15H,13H2,1-3H3,(H,22,25)
InChIKeyULLDXVGELQVYSS-UHFFFAOYSA-N
XLogP3.20
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-4-methyl-1-(3-oxobutan-2-yl)quinolin-2-one
CID 46302487
2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 46301468
ethyl 4-carbamoyl-5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 46301610
N-(2,5-dimethoxyphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301526
(2,4-dimethoxynaphthalen-1-yl) N-benzylcarbamate
CID 19873104
N-(4-acetamidophenyl)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)propanamide
CID 46301175
(2R)-2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N,N-diethylpropanamide
CID 42345006
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 20944267
methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanoylamino]thiophene-3-carboxylate
CID 46301587
8-methoxy-4-methyl-1-(naphthalen-1-ylmethyl)quinolin-2-one
CID 39768466
ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate
CID 46301544
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide (CID 46301475) is N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide is COc1cccc2c(C)cc(=O)n(C(C)C(=O)NCc3ccccc3)c12.
What is the InChIKey of N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is ULLDXVGELQVYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-12-19(24)23(20-17(14)10-7-11-18(20)26-3)15(2)21(25)22-13-16-8-5-4-6-9-16/h4-12,15H,13H2,1-3H3,(H,22,25).
What are the key properties of N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide?
N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 46301475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).