N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide

C22H18N2O2S — CID 1416113

IUPACN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)c3ccccc3)cc2c1
InChIInChI=1S/C22H18N2O2S/c1-15-9-10-19-16(12-15)13-17(21(25)23-19)14-24(18-6-3-2-4-7-18)22(26)20-8-5-11-27-20/h2-13H,14H2,1H3,(H,23,25)
InChIKeyXGQNPUQLGXBIBG-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.75
Rot. Bonds4

About N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide (PubChem CID 1416113) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide
PubChem CID1416113
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide
SMILESCc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)c3ccccc3)cc2c1
InChIInChI=1S/C22H18N2O2S/c1-15-9-10-19-16(12-15)13-17(21(25)23-19)14-24(18-6-3-2-4-7-18)22(26)20-8-5-11-27-20/h2-13H,14H2,1H3,(H,23,25)
InChIKeyXGQNPUQLGXBIBG-UHFFFAOYSA-N
XLogP4.75
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide (CID 1416113) is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide is Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)c3ccccc3)cc2c1.
What is the InChIKey of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is XGQNPUQLGXBIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-15-9-10-19-16(12-15)13-17(21(25)23-19)14-24(18-6-3-2-4-7-18)22(26)20-8-5-11-27-20/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide?
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 1416113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).