(2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate

C22H17NO3S — CID 121337977

IUPAC(2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate
SMILESCc1ccc(S(=O)Oc2c(-c3ccccc3)c(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H17NO3S/c1-15-11-13-17(14-12-15)27(25)26-21-18-9-5-6-10-19(18)23-22(24)20(21)16-7-3-2-4-8-16/h2-14H,1H3,(H,23,24)
InChIKeyQSPOPWDVNHUNTF-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.61
Rot. Bonds4

About (2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate

(2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate (PubChem CID 121337977) has the molecular formula C22H17NO3S and a molecular weight of 375.45 g/mol. Its IUPAC name is (2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate.

Molecular Properties

Compound Name(2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate
PubChem CID121337977
Molecular FormulaC22H17NO3S
Molecular Weight375.45 g/mol
Exact Mass375.09
IUPAC Name(2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate
SMILESCc1ccc(S(=O)Oc2c(-c3ccccc3)c(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C22H17NO3S/c1-15-11-13-17(14-12-15)27(25)26-21-18-9-5-6-10-19(18)23-22(24)20(21)16-7-3-2-4-8-16/h2-14H,1H3,(H,23,24)
InChIKeyQSPOPWDVNHUNTF-UHFFFAOYSA-N
XLogP4.61
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-phenyl-1H-quinolin-2-one
CID 2784967
6-methyl-4-phenyl-3-pyridin-2-yl-1H-quinolin-2-one
CID 142993468
4-methoxy-3-thiophen-3-yl-1H-quinolin-2-one
CID 14001220
6-methyl-3-[4-(4-methylphenyl)quinolin-2-yl]-4-phenyl-1H-quinolin-2-one
CID 56689455
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
4-phenyl-3-prop-1-en-2-yl-1H-quinolin-2-one
CID 142303338
methyl 4-[2-(4-methylphenyl)-1H-indol-3-yl]benzoate
CID 15528443
8-methyl-5H-phenanthridin-6-one
CID 102200304
4-(4-bromophenyl)-3-methoxy-1H-quinolin-2-one
CID 142438214
4-(4-methylphenyl)-3,5,6-triphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
CID 123196771
(4-methylphenyl)-(3-phenyl-1H-indol-2-yl)methanol
CID 164732520
9H-carbazole;9,10-diphenylanthracene
CID 159841164

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate?
The IUPAC name of (2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate (CID 121337977) is (2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate.
What is the SMILES notation for (2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate?
The canonical SMILES for (2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate is Cc1ccc(S(=O)Oc2c(-c3ccccc3)c(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of (2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate?
The InChIKey is QSPOPWDVNHUNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3S/c1-15-11-13-17(14-12-15)27(25)26-21-18-9-5-6-10-19(18)23-22(24)20(21)16-7-3-2-4-8-16/h2-14H,1H3,(H,23,24).
What are the key properties of (2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate?
(2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate has a molecular weight of 375.45 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3-phenyl-1H-quinolin-4-yl) 4-methylbenzenesulfinate is sourced from PubChem (CID 121337977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).