2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

C21H22N2O4 — CID 110324558

IUPAC2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cc3ccc(C)cc3[nH]c2=O)cc1OC
InChIInChI=1S/C21H22N2O4/c1-13-4-6-15-11-16(21(25)23-17(15)8-13)12-22-20(24)10-14-5-7-18(26-2)19(9-14)27-3/h4-9,11H,10,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDJKJJKUKQWZENH-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.71
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 110324558) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID110324558
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2cc3ccc(C)cc3[nH]c2=O)cc1OC
InChIInChI=1S/C21H22N2O4/c1-13-4-6-15-11-16(21(25)23-17(15)8-13)12-22-20(24)10-14-5-7-18(26-2)19(9-14)27-3/h4-9,11H,10,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyDJKJJKUKQWZENH-UHFFFAOYSA-N
XLogP2.71
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 113207316
N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110412926
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1141037
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110324982
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1134268
2-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324772
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110324791
N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
2-(3,4-dimethoxyphenyl)-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]acetamide
CID 56878946
N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174760

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 110324558) is 2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2cc3ccc(C)cc3[nH]c2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is DJKJJKUKQWZENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-4-6-15-11-16(21(25)23-17(15)8-13)12-22-20(24)10-14-5-7-18(26-2)19(9-14)27-3/h4-9,11H,10,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 110324558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).