1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline

C19H23NO4S — CID 91946252

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)(C)c3ccccc32)cc1OC
InChIInChI=1S/C19H23NO4S/c1-19(2)11-12-20(16-8-6-5-7-15(16)19)25(21,22)14-9-10-17(23-3)18(13-14)24-4/h5-10,13H,11-12H2,1-4H3
InChIKeyBPWFETQGVHUFDQ-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.58
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline

1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline (PubChem CID 91946252) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline
PubChem CID91946252
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)(C)c3ccccc32)cc1OC
InChIInChI=1S/C19H23NO4S/c1-19(2)11-12-20(16-8-6-5-7-15(16)19)25(21,22)14-9-10-17(23-3)18(13-14)24-4/h5-10,13H,11-12H2,1-4H3
InChIKeyBPWFETQGVHUFDQ-UHFFFAOYSA-N
XLogP3.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinoline
CID 91938897
1-(4-methoxyphenyl)sulfonyl-3,3-dimethyl-2H-indole
CID 110669474
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydroindol-3-ol
CID 19009089
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
methyl 4-(3,4-dimethoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 78686841
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)-2-methoxyaniline
CID 71493050
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 110604097
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-nitrophenyl)sulfonylpiperazine
CID 19684836
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline (CID 91946252) is 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline is COc1ccc(S(=O)(=O)N2CCC(C)(C)c3ccccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline?
The InChIKey is BPWFETQGVHUFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-19(2)11-12-20(16-8-6-5-7-15(16)19)25(21,22)14-9-10-17(23-3)18(13-14)24-4/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline?
1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline has a molecular weight of 361.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4,4-dimethyl-2,3-dihydroquinoline is sourced from PubChem (CID 91946252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).