4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide

C21H22N2O3S — CID 54726174

IUPAC4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)N(C)c2ccccc2)c(O)c2cc(SC)ccc21
InChIInChI=1S/C21H22N2O3S/c1-4-12-23-17-11-10-15(27-3)13-16(17)19(24)18(21(23)26)20(25)22(2)14-8-6-5-7-9-14/h5-11,13,24H,4,12H2,1-3H3
InChIKeyDCAAWJLHVOHAOF-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.12
Rot. Bonds5

About 4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide

4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide (PubChem CID 54726174) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide
PubChem CID54726174
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide
SMILESCCCn1c(=O)c(C(=O)N(C)c2ccccc2)c(O)c2cc(SC)ccc21
InChIInChI=1S/C21H22N2O3S/c1-4-12-23-17-11-10-15(27-3)13-16(17)19(24)18(21(23)26)20(25)22(2)14-8-6-5-7-9-14/h5-11,13,24H,4,12H2,1-3H3
InChIKeyDCAAWJLHVOHAOF-UHFFFAOYSA-N
XLogP4.12
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide (CID 54726174) is 4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide is CCCn1c(=O)c(C(=O)N(C)c2ccccc2)c(O)c2cc(SC)ccc21.
What is the InChIKey of 4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide?
The InChIKey is DCAAWJLHVOHAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-4-12-23-17-11-10-15(27-3)13-16(17)19(24)18(21(23)26)20(25)22(2)14-8-6-5-7-9-14/h5-11,13,24H,4,12H2,1-3H3.
What are the key properties of 4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide?
4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 54726174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).