8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol

C16H16N2O5S — CID 110637071

IUPAC8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1cccc2c1N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2O
InChIInChI=1S/C16H16N2O5S/c1-11-4-2-7-14-15(19)8-9-17(16(11)14)24(22,23)13-6-3-5-12(10-13)18(20)21/h2-7,10,15,19H,8-9H2,1H3
InChIKeyPWYFGXRAEJEAHS-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.54
Rot. Bonds3

About 8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol

8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637071) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637071
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1cccc2c1N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2O
InChIInChI=1S/C16H16N2O5S/c1-11-4-2-7-14-15(19)8-9-17(16(11)14)24(22,23)13-6-3-5-12(10-13)18(20)21/h2-7,10,15,19H,8-9H2,1H3
InChIKeyPWYFGXRAEJEAHS-UHFFFAOYSA-N
XLogP2.54
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637225
8-methyl-1-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637026
1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637024
4-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 23120230
1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637023
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637038
4,4-dimethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 110738697
1-methyl-4-(3-nitrophenyl)sulfonylpiperazin-1-ium
CID 7324404
1-(4-nitrophenyl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 19682752
1-(3-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998710
1-(2,3-dihydro-1H-inden-1-yl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 110399892
(3S)-3-methyl-1-(3-nitrophenyl)sulfonylpiperazine
CID 104976600

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol (CID 110637071) is 8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol is Cc1cccc2c1N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2O.
What is the InChIKey of 8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is PWYFGXRAEJEAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-11-4-2-7-14-15(19)8-9-17(16(11)14)24(22,23)13-6-3-5-12(10-13)18(20)21/h2-7,10,15,19H,8-9H2,1H3.
What are the key properties of 8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 348.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).