4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol

C24H23NO3S — CID 164665252

IUPAC4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol
SMILESC=Cc1ccccc1C1(O)CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C24H23NO3S/c1-3-19-8-4-5-9-21(19)24(26)16-17-25(23-11-7-6-10-22(23)24)29(27,28)20-14-12-18(2)13-15-20/h3-15,26H,1,16-17H2,2H3
InChIKeyYAJMQOXRKVENCR-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.47
Rot. Bonds4

About 4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol

4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol (PubChem CID 164665252) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol.

Molecular Properties

Compound Name4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol
PubChem CID164665252
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol
SMILESC=Cc1ccccc1C1(O)CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C24H23NO3S/c1-3-19-8-4-5-9-21(19)24(26)16-17-25(23-11-7-6-10-22(23)24)29(27,28)20-14-12-18(2)13-15-20/h3-15,26H,1,16-17H2,2H3
InChIKeyYAJMQOXRKVENCR-UHFFFAOYSA-N
XLogP4.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
(2E)-2-[4,4-difluoro-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-ylidene]acetic acid
CID 18324689
(4Z)-4-(hydroxymethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one
CID 44723400
2-ethenyl-1,4-bis-(4-methylphenyl)sulfonyl-2,3-dihydroquinoxaline
CID 10790460
ethyl 4-fluoro-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1-benzazepine-4-carboxylate
CID 118432206
1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-6,1-benzoxazonin-7-one
CID 102529621
(1aR)-4-(4-methylphenyl)sulfonyl-1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzazepine
CID 89273802
3-methyl-1-(4-methylphenyl)sulfonyl-3-phenylselanyl-2H-indole
CID 102407362
methyl (2Z)-2-[(3R)-3-ethenyl-3-methyl-1-(4-methylphenyl)sulfonyl-2H-quinolin-4-ylidene]acetate
CID 11749870
(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
(6aR,11bR)-7-methyl-3-(4-methylphenyl)sulfonyl-1,2,6,6a-tetrahydropyrrolo[2,3-d]carbazol-5-one
CID 138973907
4-butyl-1-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1-benzazepine-4-carbaldehyde
CID 89013137

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol?
The IUPAC name of 4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol (CID 164665252) is 4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol.
What is the SMILES notation for 4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol?
The canonical SMILES for 4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol is C=Cc1ccccc1C1(O)CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21.
What is the InChIKey of 4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol?
The InChIKey is YAJMQOXRKVENCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-3-19-8-4-5-9-21(19)24(26)16-17-25(23-11-7-6-10-22(23)24)29(27,28)20-14-12-18(2)13-15-20/h3-15,26H,1,16-17H2,2H3.
What are the key properties of 4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol?
4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol has a molecular weight of 405.52 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-ol is sourced from PubChem (CID 164665252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).