4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one

C25H17NO3S — CID 89229166

IUPAC4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one
SMILESC=C1Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)C(O)=C1Sc1ccccc1
InChIInChI=1S/C25H17NO3S/c1-16-24(30-18-12-6-3-7-13-18)22(27)21-23(29-16)19-14-8-9-15-20(19)26(25(21)28)17-10-4-2-5-11-17/h2-15,27H,1H2
InChIKeyPXWKRUTZGTUALA-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.92
Rot. Bonds3

About 4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one

4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one (PubChem CID 89229166) has the molecular formula C25H17NO3S and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one
PubChem CID89229166
Molecular FormulaC25H17NO3S
Molecular Weight411.48 g/mol
Exact Mass411.09
IUPAC Name4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one
SMILESC=C1Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)C(O)=C1Sc1ccccc1
InChIInChI=1S/C25H17NO3S/c1-16-24(30-18-12-6-3-7-13-18)22(27)21-23(29-16)19-14-8-9-15-20(19)26(25(21)28)17-10-4-2-5-11-17/h2-15,27H,1H2
InChIKeyPXWKRUTZGTUALA-UHFFFAOYSA-N
XLogP5.92
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one
CID 54685600
4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
CID 102581403
3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one
CID 54682455
3-ethyl-4-hydroxy-1-phenylquinolin-2-one
CID 54677985
4-hydroxy-3-(1,2-oxazol-3-yl)-1-phenylquinolin-2-one
CID 135449722
4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
CID 110273136
3-bromo-1-phenylindole-2-carboxylic acid
CID 102533933
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
CID 54737721
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
CID 86007842
3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one
CID 54705173
3-formyl-2-oxo-1-phenylquinolin-4-olate
CID 51371497
methyl 3-(4-hydroxy-2,5-dioxo-6-phenylpyrano[3,2-c]quinolin-3-yl)sulfanylbenzoate
CID 59241481

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one?
The IUPAC name of 4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one (CID 89229166) is 4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one is C=C1Oc2c(c(=O)n(-c3ccccc3)c3ccccc23)C(O)=C1Sc1ccccc1.
What is the InChIKey of 4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one?
The InChIKey is PXWKRUTZGTUALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO3S/c1-16-24(30-18-12-6-3-7-13-18)22(27)21-23(29-16)19-14-8-9-15-20(19)26(25(21)28)17-10-4-2-5-11-17/h2-15,27H,1H2.
What are the key properties of 4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one?
4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one has a molecular weight of 411.48 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylidene-6-phenyl-3-phenylsulfanylpyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 89229166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).