4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one

C30H20N2O4S — CID 102581403

IUPAC4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
SMILESO=c1c(Sc2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C30H20N2O4S/c33-25-21-15-7-9-17-23(21)31(19-11-3-1-4-12-19)29(35)27(25)37-28-26(34)22-16-8-10-18-24(22)32(30(28)36)20-13-5-2-6-14-20/h1-18,33-34H
InChIKeyAPCDJLXESRQWDH-UHFFFAOYSA-N
MW504.57 g/mol
LogP5.86
Rot. Bonds4

About 4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one

4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one (PubChem CID 102581403) has the molecular formula C30H20N2O4S and a molecular weight of 504.57 g/mol. Its IUPAC name is 4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
PubChem CID102581403
Molecular FormulaC30H20N2O4S
Molecular Weight504.57 g/mol
Exact Mass504.11
IUPAC Name4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
SMILESO=c1c(Sc2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C30H20N2O4S/c33-25-21-15-7-9-17-23(21)31(19-11-3-1-4-12-19)29(35)27(25)37-28-26(34)22-16-8-10-18-24(22)32(30(28)36)20-13-5-2-6-14-20/h1-18,33-34H
InChIKeyAPCDJLXESRQWDH-UHFFFAOYSA-N
XLogP5.86
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-1-phenyl-3-phenylsulfanylquinolin-2-one
CID 54685600
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-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
CID 110273136
3-(benzenesulfonyl)-4-hydroxy-1-phenylquinolin-2-one
CID 54705173
4-hydroxy-3-(1,2-oxazol-3-yl)-1-phenylquinolin-2-one
CID 135449722
5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one
CID 90379871
prop-2-enyl 4-hydroxy-2-oxo-1-phenylquinoline-3-carboxylate
CID 54737721
4-hydroxy-3-[C-methyl-N-(4-phenyldiazenylphenyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135470083
5-[4-[4-(6-oxophenanthridin-5-yl)phenyl]phenyl]phenanthridin-6-one
CID 86007842
3-(N-benzyl-C-ethylcarbonimidoyl)-4-hydroxy-1-phenylquinolin-2-one
CID 136756876
15,20-diphenyl-11-[4-(4-phenylphenyl)phenyl]-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933457

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one?
The IUPAC name of 4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one (CID 102581403) is 4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one is O=c1c(Sc2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one?
The InChIKey is APCDJLXESRQWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O4S/c33-25-21-15-7-9-17-23(21)31(19-11-3-1-4-12-19)29(35)27(25)37-28-26(34)22-16-8-10-18-24(22)32(30(28)36)20-13-5-2-6-14-20/h1-18,33-34H.
What are the key properties of 4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one?
4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one has a molecular weight of 504.57 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one is sourced from PubChem (CID 102581403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).