2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide

C23H22N2O3S — CID 7517427

IUPAC2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1
InChIInChI=1S/C23H22N2O3S/c1-16-5-2-7-19(13-16)28-15-22(26)24-18-10-9-17-6-3-11-25(20(17)14-18)23(27)21-8-4-12-29-21/h2,4-5,7-10,12-14H,3,6,11,15H2,1H3,(H,24,26)
InChIKeyDEKAAFXSRGZGQD-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.67
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide

2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide (PubChem CID 7517427) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
PubChem CID7517427
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1
InChIInChI=1S/C23H22N2O3S/c1-16-5-2-7-19(13-16)28-15-22(26)24-18-10-9-17-6-3-11-25(20(17)14-18)23(27)21-8-4-12-29-21/h2,4-5,7-10,12-14H,3,6,11,15H2,1H3,(H,24,26)
InChIKeyDEKAAFXSRGZGQD-UHFFFAOYSA-N
XLogP4.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(3-methylphenoxy)acetamide
CID 7517353
2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18564997
phenyl N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517433
2-(3-methylphenoxy)-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 3371367
3-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517400
[2-oxo-2-[[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]amino]ethyl] 2,2-dimethylpropanoate
CID 7498699
2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498760
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-phenoxyacetamide
CID 7527152
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517401
4-propan-2-yloxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517377
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]cyclohexanecarboxamide
CID 7517417

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide (CID 7517427) is 2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide?
The InChIKey is DEKAAFXSRGZGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-16-5-2-7-19(13-16)28-15-22(26)24-18-10-9-17-6-3-11-25(20(17)14-18)23(27)21-8-4-12-29-21/h2,4-5,7-10,12-14H,3,6,11,15H2,1H3,(H,24,26).
What are the key properties of 2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide?
2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide is sourced from PubChem (CID 7517427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).