6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide

C25H30N2OS — CID 92769816

IUPAC6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide
SMILESCc1cc2nc(-c3cccs3)cc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2cc1C
InChIInChI=1S/C25H30N2OS/c1-15-9-18(14-25(4,5)13-15)26-24(28)20-12-22(23-7-6-8-29-23)27-21-11-17(3)16(2)10-19(20)21/h6-8,10-12,15,18H,9,13-14H2,1-5H3,(H,26,28)/t15-,18-/m1/s1
InChIKeyXIRHEIWMONRKFP-CRAIPNDOSA-N
MW406.60 g/mol
LogP6.52
Rot. Bonds3

About 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide

6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide (PubChem CID 92769816) has the molecular formula C25H30N2OS and a molecular weight of 406.60 g/mol. Its IUPAC name is 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide
PubChem CID92769816
Molecular FormulaC25H30N2OS
Molecular Weight406.60 g/mol
Exact Mass406.21
IUPAC Name6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide
SMILESCc1cc2nc(-c3cccs3)cc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2cc1C
InChIInChI=1S/C25H30N2OS/c1-15-9-18(14-25(4,5)13-15)26-24(28)20-12-22(23-7-6-8-29-23)27-21-11-17(3)16(2)10-19(20)21/h6-8,10-12,15,18H,9,13-14H2,1-5H3,(H,26,28)/t15-,18-/m1/s1
InChIKeyXIRHEIWMONRKFP-CRAIPNDOSA-N
XLogP6.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.60
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-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

N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167
N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 166257008
N-[(4-butylphenyl)methyl]-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 46100340
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166179880
2-amino-N-(3,3,5-trimethylcyclohexyl)benzamide
CID 2806551
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55501818
N-hexyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42749781
N-(2-methylpiperidin-4-yl)-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120601696
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807522
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide?
The IUPAC name of 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide (CID 92769816) is 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide.
What is the SMILES notation for 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide?
The canonical SMILES for 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide is Cc1cc2nc(-c3cccs3)cc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2cc1C.
What is the InChIKey of 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide?
The InChIKey is XIRHEIWMONRKFP-CRAIPNDOSA-N. The full InChI is InChI=1S/C25H30N2OS/c1-15-9-18(14-25(4,5)13-15)26-24(28)20-12-22(23-7-6-8-29-23)27-21-11-17(3)16(2)10-19(20)21/h6-8,10-12,15,18H,9,13-14H2,1-5H3,(H,26,28)/t15-,18-/m1/s1.
What are the key properties of 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide?
6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide has a molecular weight of 406.60 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-thiophen-2-yl-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]quinoline-4-carboxamide is sourced from PubChem (CID 92769816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).