6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one

C19H19NO3S — CID 20868633

IUPAC6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)c2c1
InChIInChI=1S/C19H19NO3S/c1-12(2)14-5-7-15(8-6-14)24(22,23)18-11-20-17-9-4-13(3)10-16(17)19(18)21/h4-12H,1-3H3,(H,20,21)
InChIKeyINVIIMWHAJPRCX-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.79
Rot. Bonds3

About 6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one

6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one (PubChem CID 20868633) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one
PubChem CID20868633
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)c2c1
InChIInChI=1S/C19H19NO3S/c1-12(2)14-5-7-15(8-6-14)24(22,23)18-11-20-17-9-4-13(3)10-16(17)19(18)21/h4-12H,1-3H3,(H,20,21)
InChIKeyINVIIMWHAJPRCX-UHFFFAOYSA-N
XLogP3.79
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one?
The IUPAC name of 6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one (CID 20868633) is 6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one is Cc1ccc2[nH]cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one?
The InChIKey is INVIIMWHAJPRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-12(2)14-5-7-15(8-6-14)24(22,23)18-11-20-17-9-4-13(3)10-16(17)19(18)21/h4-12H,1-3H3,(H,20,21).
What are the key properties of 6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one?
6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one has a molecular weight of 341.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-propan-2-ylphenyl)sulfonyl-1H-quinolin-4-one is sourced from PubChem (CID 20868633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).