2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide

C23H22N2O4S — CID 18564997

IUPAC2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1
InChIInChI=1S/C23H22N2O4S/c1-28-18-7-9-19(10-8-18)29-15-22(26)24-17-6-11-20-16(14-17)4-2-12-25(20)23(27)21-5-3-13-30-21/h3,5-11,13-14H,2,4,12,15H2,1H3,(H,24,26)
InChIKeyMKGWECTZDFRUIF-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.37
Rot. Bonds6

About 2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide

2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 18564997) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID18564997
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1
InChIInChI=1S/C23H22N2O4S/c1-28-18-7-9-19(10-8-18)29-15-22(26)24-17-6-11-20-16(14-17)4-2-12-25(20)23(27)21-5-3-13-30-21/h3,5-11,13-14H,2,4,12,15H2,1H3,(H,24,26)
InChIKeyMKGWECTZDFRUIF-UHFFFAOYSA-N
XLogP4.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]amino]ethyl] 2,2-dimethylpropanoate
CID 7498699
2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27444602
2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517427
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498683
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylphenoxy)acetamide
CID 7656394
3-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517400
2-(3-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498766
3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide
CID 110303754
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 90599393
2-(4-methoxyphenoxy)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18565018
N-[(3-methoxythiolan-3-yl)methyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 71804932

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 18564997) is 2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide is COc1ccc(OCC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is MKGWECTZDFRUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-28-18-7-9-19(10-8-18)29-15-22(26)24-17-6-11-20-16(14-17)4-2-12-25(20)23(27)21-5-3-13-30-21/h3,5-11,13-14H,2,4,12,15H2,1H3,(H,24,26).
What are the key properties of 2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 422.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 18564997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).