(2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone

C21H27N3OS — CID 77096580

IUPAC(2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1cc(C)c2ccc(C(=O)N3CCC(N4CCSCC4)CC3)cc2n1
InChIInChI=1S/C21H27N3OS/c1-15-13-16(2)22-20-14-17(3-4-19(15)20)21(25)24-7-5-18(6-8-24)23-9-11-26-12-10-23/h3-4,13-14,18H,5-12H2,1-2H3
InChIKeyZJQVTUHQTDEBPC-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.51
Rot. Bonds2

About (2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone

(2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 77096580) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is (2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
PubChem CID77096580
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name(2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1cc(C)c2ccc(C(=O)N3CCC(N4CCSCC4)CC3)cc2n1
InChIInChI=1S/C21H27N3OS/c1-15-13-16(2)22-20-14-17(3-4-19(15)20)21(25)24-7-5-18(6-8-24)23-9-11-26-12-10-23/h3-4,13-14,18H,5-12H2,1-2H3
InChIKeyZJQVTUHQTDEBPC-UHFFFAOYSA-N
XLogP3.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
(4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72862430
(2,4-dimethylquinolin-7-yl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70774437
(4-thiomorpholin-4-ylpiperidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72927458
(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508
2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 60617448
[4-(1H-pyrazol-5-yl)phenyl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 72905498
ethyl 4-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074667
[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-(4-methylquinolin-6-yl)methanone
CID 90616401
(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110871165
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 176503897

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone (CID 77096580) is (2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone is Cc1cc(C)c2ccc(C(=O)N3CCC(N4CCSCC4)CC3)cc2n1.
What is the InChIKey of (2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is ZJQVTUHQTDEBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-15-13-16(2)22-20-14-17(3-4-19(15)20)21(25)24-7-5-18(6-8-24)23-9-11-26-12-10-23/h3-4,13-14,18H,5-12H2,1-2H3.
What are the key properties of (2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
(2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 369.53 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylquinolin-7-yl)-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 77096580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).