N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide

C21H20N2OS — CID 18193189

IUPACN-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NC3CCSc4ccccc43)c2c1
InChIInChI=1S/C21H20N2OS/c1-13-7-8-18-16(11-13)17(12-14(2)22-18)21(24)23-19-9-10-25-20-6-4-3-5-15(19)20/h3-8,11-12,19H,9-10H2,1-2H3,(H,23,24)
InChIKeyDXXJAEUVKOCADJ-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.82
Rot. Bonds2

About N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide

N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide (PubChem CID 18193189) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide
PubChem CID18193189
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC NameN-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NC3CCSc4ccccc43)c2c1
InChIInChI=1S/C21H20N2OS/c1-13-7-8-18-16(11-13)17(12-14(2)22-18)21(24)23-19-9-10-25-20-6-4-3-5-15(19)20/h3-8,11-12,19H,9-10H2,1-2H3,(H,23,24)
InChIKeyDXXJAEUVKOCADJ-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-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

2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylbenzamide
CID 80958800
2,6-dimethyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 3184547
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976311
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794608
2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylbenzamide
CID 43697769
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3H-benzimidazole-5-carboxamide
CID 25324948
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(dimethylamino)pyridine-3-carboxamide
CID 39017514

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide (CID 18193189) is N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NC3CCSc4ccccc43)c2c1.
What is the InChIKey of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is DXXJAEUVKOCADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-13-7-8-18-16(11-13)17(12-14(2)22-18)21(24)23-19-9-10-25-20-6-4-3-5-15(19)20/h3-8,11-12,19H,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide?
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 18193189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).