2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide

C23H26N2O4 — CID 110414437

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
SMILESCOc1ccc(C)c2cc(CCNC(=O)COc3ccc(C)c(C)c3)c(=O)[nH]c12
InChIInChI=1S/C23H26N2O4/c1-14-5-7-18(11-16(14)3)29-13-21(26)24-10-9-17-12-19-15(2)6-8-20(28-4)22(19)25-23(17)27/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyPKOKFIBNZGVQRS-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.20
Rot. Bonds7

About 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide

2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide (PubChem CID 110414437) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
PubChem CID110414437
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
SMILESCOc1ccc(C)c2cc(CCNC(=O)COc3ccc(C)c(C)c3)c(=O)[nH]c12
InChIInChI=1S/C23H26N2O4/c1-14-5-7-18(11-16(14)3)29-13-21(26)24-10-9-17-12-19-15(2)6-8-20(28-4)22(19)25-23(17)27/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyPKOKFIBNZGVQRS-UHFFFAOYSA-N
XLogP3.20
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide with MolForge

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Related Compounds

N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 110602465
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110602477
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 5070810
2-chloro-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136765
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 5197848
2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110415717
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110609277
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide
CID 5223437
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 3497039

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide (CID 110414437) is 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide is COc1ccc(C)c2cc(CCNC(=O)COc3ccc(C)c(C)c3)c(=O)[nH]c12.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
The InChIKey is PKOKFIBNZGVQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14-5-7-18(11-16(14)3)29-13-21(26)24-10-9-17-12-19-15(2)6-8-20(28-4)22(19)25-23(17)27/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide has a molecular weight of 394.47 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide is sourced from PubChem (CID 110414437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).