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

C22H20N2O2S — CID 7498662

IUPAC2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C22H20N2O2S/c1-15-6-2-3-8-18(15)21(25)23-17-10-11-19-16(14-17)7-4-12-24(19)22(26)20-9-5-13-27-20/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,23,25)
InChIKeyHJUMABIFSOEWOS-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.90
Rot. Bonds3

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

2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (PubChem CID 7498662) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
PubChem CID7498662
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1
InChIInChI=1S/C22H20N2O2S/c1-15-6-2-3-8-18(15)21(25)23-17-10-11-19-16(14-17)7-4-12-24(19)22(26)20-9-5-13-27-20/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,23,25)
InChIKeyHJUMABIFSOEWOS-UHFFFAOYSA-N
XLogP4.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (CID 7498662) is 2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is Cc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1.
What is the InChIKey of 2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The InChIKey is HJUMABIFSOEWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-15-6-2-3-8-18(15)21(25)23-17-10-11-19-16(14-17)7-4-12-24(19)22(26)20-9-5-13-27-20/h2-3,5-6,8-11,13-14H,4,7,12H2,1H3,(H,23,25).
What are the key properties of 2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide has a molecular weight of 376.48 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is sourced from PubChem (CID 7498662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).