1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol

C28H25NO3S — CID 134954263

IUPAC1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESC=C(c1ccc2ccccc2c1)C1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1O
InChIInChI=1S/C28H25NO3S/c1-19-11-15-24(16-12-19)33(31,32)29-18-26(28(30)25-9-5-6-10-27(25)29)20(2)22-14-13-21-7-3-4-8-23(21)17-22/h3-17,26,28,30H,2,18H2,1H3
InChIKeyZGHSOKPDNNYMDY-UHFFFAOYSA-N
MW455.58 g/mol
LogP5.72
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol

1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 134954263) has the molecular formula C28H25NO3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol
PubChem CID134954263
Molecular FormulaC28H25NO3S
Molecular Weight455.58 g/mol
Exact Mass455.16
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESC=C(c1ccc2ccccc2c1)C1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1O
InChIInChI=1S/C28H25NO3S/c1-19-11-15-24(16-12-19)33(31,32)29-18-26(28(30)25-9-5-6-10-27(25)29)20(2)22-14-13-21-7-3-4-8-23(21)17-22/h3-17,26,28,30H,2,18H2,1H3
InChIKeyZGHSOKPDNNYMDY-UHFFFAOYSA-N
XLogP5.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.58
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol with MolForge

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Related Compounds

1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)-3,4-dihydro-2H-quinolin-4-ol
CID 122202753
3-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 71662647
(3S)-3-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 139092648
3-methoxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 132581058
4-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578840
(1aR)-4-(4-methylphenyl)sulfonyl-1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzazepine
CID 89273802
4-[[(3R)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578841
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599
(3aS,9bS)-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydrofuro[3,2-c]quinolin-2-one
CID 101430135
3-[fluoro(phenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 154713489
(3R,4R)-1-(4-methylphenyl)sulfonyl-3-(1-phenylethenyl)piperidin-4-ol
CID 177395494
(3R,4R)-4-ethynyl-1-(4-methylphenyl)sulfonyl-3-phenyl-3,4-dihydro-2H-quinoline
CID 177492850

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol (CID 134954263) is 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol is C=C(c1ccc2ccccc2c1)C1CN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1O.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is ZGHSOKPDNNYMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3S/c1-19-11-15-24(16-12-19)33(31,32)29-18-26(28(30)25-9-5-6-10-27(25)29)20(2)22-14-13-21-7-3-4-8-23(21)17-22/h3-17,26,28,30H,2,18H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol?
1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 455.58 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-(1-naphthalen-2-ylethenyl)-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 134954263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).