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

C22H20N2O3S — CID 7498683

IUPAC2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C22H20N2O3S/c1-27-19-8-3-2-7-17(19)21(25)23-16-10-11-18-15(14-16)6-4-12-24(18)22(26)20-9-5-13-28-20/h2-3,5,7-11,13-14H,4,6,12H2,1H3,(H,23,25)
InChIKeyADOHDCUXAPRCOB-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.60
Rot. Bonds4

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

2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (PubChem CID 7498683) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
PubChem CID7498683
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C22H20N2O3S/c1-27-19-8-3-2-7-17(19)21(25)23-16-10-11-18-15(14-16)6-4-12-24(18)22(26)20-9-5-13-28-20/h2-3,5,7-11,13-14H,4,6,12H2,1H3,(H,23,25)
InChIKeyADOHDCUXAPRCOB-UHFFFAOYSA-N
XLogP4.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27444602
2-(4-methoxyphenoxy)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18564997
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
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517408
2-methoxy-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 2237237
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]oxamide
CID 90599393
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2,3-dimethoxybenzamide
CID 7498597
2,5-dichloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835031
3,4-dimethyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517401
5-bromo-2-chloro-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835024
methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 16766254

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (CID 7498683) is 2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is COc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1.
What is the InChIKey of 2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The InChIKey is ADOHDCUXAPRCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-27-19-8-3-2-7-17(19)21(25)23-16-10-11-18-15(14-16)6-4-12-24(18)22(26)20-9-5-13-28-20/h2-3,5,7-11,13-14H,4,6,12H2,1H3,(H,23,25).
What are the key properties of 2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is sourced from PubChem (CID 7498683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).