6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one

C19H15F3N2O3S — CID 22055315

IUPAC6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)cc(C(F)(F)F)c2cc(S(=O)(=O)N3Cc4ccccc4C3)ccc21
InChIInChI=1S/C19H15F3N2O3S/c1-23-17-7-6-14(8-15(17)16(9-18(23)25)19(20,21)22)28(26,27)24-10-12-4-2-3-5-13(12)11-24/h2-9H,10-11H2,1H3
InChIKeyPYEOABMRPGQZGA-UHFFFAOYSA-N
MW408.40 g/mol
LogP3.26
Rot. Bonds2

About 6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one

6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one (PubChem CID 22055315) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one.

Molecular Properties

Compound Name6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one
PubChem CID22055315
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one
SMILESCn1c(=O)cc(C(F)(F)F)c2cc(S(=O)(=O)N3Cc4ccccc4C3)ccc21
InChIInChI=1S/C19H15F3N2O3S/c1-23-17-7-6-14(8-15(17)16(9-18(23)25)19(20,21)22)28(26,27)24-10-12-4-2-3-5-13(12)11-24/h2-9H,10-11H2,1H3
InChIKeyPYEOABMRPGQZGA-UHFFFAOYSA-N
XLogP3.26
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The IUPAC name of 6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one (CID 22055315) is 6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one.
What is the SMILES notation for 6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The canonical SMILES for 6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one is Cn1c(=O)cc(C(F)(F)F)c2cc(S(=O)(=O)N3Cc4ccccc4C3)ccc21.
What is the InChIKey of 6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one?
The InChIKey is PYEOABMRPGQZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-23-17-7-6-14(8-15(17)16(9-18(23)25)19(20,21)22)28(26,27)24-10-12-4-2-3-5-13(12)11-24/h2-9H,10-11H2,1H3.
What are the key properties of 6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one?
6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one has a molecular weight of 408.40 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroisoindol-2-ylsulfonyl)-1-methyl-4-(trifluoromethyl)quinolin-2-one is sourced from PubChem (CID 22055315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).