(3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one

C24H23NOS — CID 134854352

IUPAC(3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one
SMILESCc1ccc(S[C@H]2C(=O)N(C)c3c(C)cccc3[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H23NOS/c1-16-12-14-19(15-13-16)27-23-21(18-9-5-4-6-10-18)20-11-7-8-17(2)22(20)25(3)24(23)26/h4-15,21,23H,1-3H3/t21-,23-/m1/s1
InChIKeyVEAIZPJLOWCQSX-FYYLOGMGSA-N
MW373.52 g/mol
LogP5.57
Rot. Bonds3

About (3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one

(3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one (PubChem CID 134854352) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is (3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one
PubChem CID134854352
Molecular FormulaC24H23NOS
Molecular Weight373.52 g/mol
Exact Mass373.15
IUPAC Name(3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one
SMILESCc1ccc(S[C@H]2C(=O)N(C)c3c(C)cccc3[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H23NOS/c1-16-12-14-19(15-13-16)27-23-21(18-9-5-4-6-10-18)20-11-7-8-17(2)22(20)25(3)24(23)26/h4-15,21,23H,1-3H3/t21-,23-/m1/s1
InChIKeyVEAIZPJLOWCQSX-FYYLOGMGSA-N
XLogP5.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one (CID 134854352) is (3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one is Cc1ccc(S[C@H]2C(=O)N(C)c3c(C)cccc3[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one?
The InChIKey is VEAIZPJLOWCQSX-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H23NOS/c1-16-12-14-19(15-13-16)27-23-21(18-9-5-4-6-10-18)20-11-7-8-17(2)22(20)25(3)24(23)26/h4-15,21,23H,1-3H3/t21-,23-/m1/s1.
What are the key properties of (3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one?
(3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one has a molecular weight of 373.52 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,8-dimethyl-3-(4-methylphenyl)sulfanyl-4-phenyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 134854352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).