N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide

C23H20N2O2S — CID 1388799

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc2cc(CN(C(=O)c3cccs3)c3ccccc3C)c(=O)[nH]c2c1
InChIInChI=1S/C23H20N2O2S/c1-15-9-10-17-13-18(22(26)24-19(17)12-15)14-25(20-7-4-3-6-16(20)2)23(27)21-8-5-11-28-21/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyWYJAPOHIMPZGBU-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.05
Rot. Bonds4

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide (PubChem CID 1388799) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide
PubChem CID1388799
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc2cc(CN(C(=O)c3cccs3)c3ccccc3C)c(=O)[nH]c2c1
InChIInChI=1S/C23H20N2O2S/c1-15-9-10-17-13-18(22(26)24-19(17)12-15)14-25(20-7-4-3-6-16(20)2)23(27)21-8-5-11-28-21/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyWYJAPOHIMPZGBU-UHFFFAOYSA-N
XLogP5.05
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 1396662
2-methoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)acetamide
CID 1091876
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 1452960
2-chloro-N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3628765
N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 951195
N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 951332
N-(2,5-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 2021238
3-chloro-N-(2,3-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 17096453
N-(2,3-dimethylphenyl)-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 1395107
N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 929587
N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]butanamide
CID 1017039
N-(2,3-dimethylphenyl)-4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1390928

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide (CID 1388799) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide is Cc1ccc2cc(CN(C(=O)c3cccs3)c3ccccc3C)c(=O)[nH]c2c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is WYJAPOHIMPZGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-9-10-17-13-18(22(26)24-19(17)12-15)14-25(20-7-4-3-6-16(20)2)23(27)21-8-5-11-28-21/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1388799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).