N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

C22H20N2O3S — CID 1453574

IUPACN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccs3)cc2c1
InChIInChI=1S/C22H20N2O3S/c1-2-15-7-8-19-16(11-15)12-17(21(25)23-19)13-24(14-18-5-3-9-27-18)22(26)20-6-4-10-28-20/h3-12H,2,13-14H2,1H3,(H,23,25)
InChIKeyINGQXVJMSBNTNZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.59
Rot. Bonds6

About N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide

N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 1453574) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
PubChem CID1453574
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
SMILESCCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccs3)cc2c1
InChIInChI=1S/C22H20N2O3S/c1-2-15-7-8-19-16(11-15)12-17(21(25)23-19)13-24(14-18-5-3-9-27-18)22(26)20-6-4-10-28-20/h3-12H,2,13-14H2,1H3,(H,23,25)
InChIKeyINGQXVJMSBNTNZ-UHFFFAOYSA-N
XLogP4.59
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide (CID 1453574) is N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccs3)cc2c1.
What is the InChIKey of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is INGQXVJMSBNTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-2-15-7-8-19-16(11-15)12-17(21(25)23-19)13-24(14-18-5-3-9-27-18)22(26)20-6-4-10-28-20/h3-12H,2,13-14H2,1H3,(H,23,25).
What are the key properties of N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide?
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 1453574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).