N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide

C23H20N2O2S — CID 24819413

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C23H20N2O2S/c1-25(15-16-7-5-8-17(13-16)27-2)23(26)19-14-21(22-11-6-12-28-22)24-20-10-4-3-9-18(19)20/h3-14H,15H2,1-2H3
InChIKeyUSMZCNQQHNSQOQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.24
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide

N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 24819413) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID24819413
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C23H20N2O2S/c1-25(15-16-7-5-8-17(13-16)27-2)23(26)19-14-21(22-11-6-12-28-22)24-20-10-4-3-9-18(19)20/h3-14H,15H2,1-2H3
InChIKeyUSMZCNQQHNSQOQ-UHFFFAOYSA-N
XLogP5.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(+-)-11-(2-Fluoroethyl)-8-methoxy-6,11-dihydro-5-thia-11-aza-benzo[a] fluorene-6-carboxylic acid diethyl amide
CID 58382965
N,N-diethyl-11-(2-fluoroethyl)-2-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579503
N,N-diethyl-11-(2-fluoroethyl)-4-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579505
Azetidin-1-yl-(6-methoxy-2-phenylquinolin-4-yl)methanone
CID 9361949
[2-(4-Methoxyphenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218255
2-(3-Methoxyphenyl)-2-oxoethyl 2-(2-thienyl)-4-quinolinecarboxylate
CID 1218256
4-[(E)-2-({3-[2,4-Dimethyl-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-thiophen-2-ylmethyl}-carbamoyl)-vinyl]-N-methyl-benzamide
CID 10769485
2-(3,4-Dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)quinoline
CID 1219284
(4-Benzylpiperazin-1-yl)-[2-(3-methoxyphenyl)quinolin-4-yl]methanone
CID 1292979
[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2388112
[4-(2-Hydroxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 2449295
6-Methoxy-2-[(4-methylpiperazin-1-yl)carbonyl]thieno[2,3-b]quinoline
CID 3240696

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide (CID 24819413) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide is COc1cccc(CN(C)C(=O)c2cc(-c3cccs3)nc3ccccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is USMZCNQQHNSQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-25(15-16-7-5-8-17(13-16)27-2)23(26)19-14-21(22-11-6-12-28-22)24-20-10-4-3-9-18(19)20/h3-14H,15H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 24819413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).