2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide

C22H29N3OS — CID 39176079

IUPAC2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCC3(N4CCSCC4)CCCC3)cc2c1
InChIInChI=1S/C22H29N3OS/c1-16-5-6-20-18(13-16)14-19(17(2)24-20)21(26)23-15-22(7-3-4-8-22)25-9-11-27-12-10-25/h5-6,13-14H,3-4,7-12,15H2,1-2H3,(H,23,26)
InChIKeySUJKYOSOOUENBK-UHFFFAOYSA-N
MW383.56 g/mol
LogP3.94
Rot. Bonds4

About 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide

2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide (PubChem CID 39176079) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide
PubChem CID39176079
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Name2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCC3(N4CCSCC4)CCCC3)cc2c1
InChIInChI=1S/C22H29N3OS/c1-16-5-6-20-18(13-16)14-19(17(2)24-20)21(26)23-15-22(7-3-4-8-22)25-9-11-27-12-10-25/h5-6,13-14H,3-4,7-12,15H2,1-2H3,(H,23,26)
InChIKeySUJKYOSOOUENBK-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-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 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide (CID 39176079) is 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCC3(N4CCSCC4)CCCC3)cc2c1.
What is the InChIKey of 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide?
The InChIKey is SUJKYOSOOUENBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-16-5-6-20-18(13-16)14-19(17(2)24-20)21(26)23-15-22(7-3-4-8-22)25-9-11-27-12-10-25/h5-6,13-14H,3-4,7-12,15H2,1-2H3,(H,23,26).
What are the key properties of 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide?
2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide has a molecular weight of 383.56 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 39176079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).