N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide

C23H20N2O2S — CID 1396185

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)cc1
InChIInChI=1S/C23H20N2O2S/c1-15-6-9-19(10-7-15)25(23(27)21-4-3-11-28-21)14-18-13-17-8-5-16(2)12-20(17)24-22(18)26/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyWWBRQQGRMCJFJV-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.05
Rot. Bonds4

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 1396185) 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-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID1396185
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)cc1
InChIInChI=1S/C23H20N2O2S/c1-15-6-9-19(10-7-15)25(23(27)21-4-3-11-28-21)14-18-13-17-8-5-16(2)12-20(17)24-22(18)26/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyWWBRQQGRMCJFJV-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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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide (CID 1396185) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)cc1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is WWBRQQGRMCJFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15-6-9-19(10-7-15)25(23(27)21-4-3-11-28-21)14-18-13-17-8-5-16(2)12-20(17)24-22(18)26/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-(4-methylphenyl)thiophene-2-carboxamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-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-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1396185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).