2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide

C23H23N3O2S — CID 60617448

IUPAC2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c2ccccc2n1
InChIInChI=1S/C23H23N3O2S/c1-15-13-17(23(28)26-9-11-29-12-10-26)7-8-20(15)25-22(27)19-14-16(2)24-21-6-4-3-5-18(19)21/h3-8,13-14H,9-12H2,1-2H3,(H,25,27)
InChIKeyQXBMUVHFNFQTDU-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.29
Rot. Bonds3

About 2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide

2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide (PubChem CID 60617448) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
PubChem CID60617448
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c2ccccc2n1
InChIInChI=1S/C23H23N3O2S/c1-15-13-17(23(28)26-9-11-29-12-10-26)7-8-20(15)25-22(27)19-14-16(2)24-21-6-4-3-5-18(19)21/h3-8,13-14H,9-12H2,1-2H3,(H,25,27)
InChIKeyQXBMUVHFNFQTDU-UHFFFAOYSA-N
XLogP4.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119183235
(4-hydrazinyl-3-methylphenyl)-thiomorpholin-4-ylmethanone
CID 63211977
4-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71880545
2-(methylamino)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119761416
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
2-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975715
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide
CID 25333299
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide (CID 60617448) is 2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
The InChIKey is QXBMUVHFNFQTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-15-13-17(23(28)26-9-11-29-12-10-26)7-8-20(15)25-22(27)19-14-16(2)24-21-6-4-3-5-18(19)21/h3-8,13-14H,9-12H2,1-2H3,(H,25,27).
What are the key properties of 2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 60617448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).