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

C24H24N2O4S — CID 27444602

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1OC
InChIInChI=1S/C24H24N2O4S/c1-29-20-10-7-16(13-21(20)30-2)14-23(27)25-18-8-9-19-17(15-18)5-3-11-26(19)24(28)22-6-4-12-31-22/h4,6-10,12-13,15H,3,5,11,14H2,1-2H3,(H,25,27)
InChIKeyZRJZZUYXGDDXRY-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.54
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 27444602) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID27444602
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1OC
InChIInChI=1S/C24H24N2O4S/c1-29-20-10-7-16(13-21(20)30-2)14-23(27)25-18-8-9-19-17(15-18)5-3-11-26(19)24(28)22-6-4-12-31-22/h4,6-10,12-13,15H,3,5,11,14H2,1-2H3,(H,25,27)
InChIKeyZRJZZUYXGDDXRY-UHFFFAOYSA-N
XLogP4.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498752
2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18564997
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7498683
[2-oxo-2-[[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]amino]ethyl] 2,2-dimethylpropanoate
CID 7498699
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 90599393
2-(3,4-dimethoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835104
3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide
CID 110303754
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
CID 30374067
N-[(3-methoxythiolan-3-yl)methyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 71804932
N-(2-hydroxy-3-phenylpropyl)-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 90534609
2-(4-methoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
CID 27443267
3-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517400

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 27444602) is 2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide is COc1ccc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is ZRJZZUYXGDDXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-29-20-10-7-16(13-21(20)30-2)14-23(27)25-18-8-9-19-17(15-18)5-3-11-26(19)24(28)22-6-4-12-31-22/h4,6-10,12-13,15H,3,5,11,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 436.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 27444602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).