7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol

C16H16N2O6S — CID 110637225

IUPAC7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2O
InChIInChI=1S/C16H16N2O6S/c1-24-12-5-6-14-15(10-12)17(8-7-16(14)19)25(22,23)13-4-2-3-11(9-13)18(20)21/h2-6,9-10,16,19H,7-8H2,1H3
InChIKeyCKDYXBIITQZRHH-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.24
Rot. Bonds4

About 7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol

7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637225) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637225
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2O
InChIInChI=1S/C16H16N2O6S/c1-24-12-5-6-14-15(10-12)17(8-7-16(14)19)25(22,23)13-4-2-3-11(9-13)18(20)21/h2-6,9-10,16,19H,7-8H2,1H3
InChIKeyCKDYXBIITQZRHH-UHFFFAOYSA-N
XLogP2.24
TPSA109.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637071
7-methoxy-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637194
4-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 23120230
1-(2,4-dimethoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637189
7-methoxy-1-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637195
1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637221
1-[(3-methoxyphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazin-1-ium
CID 7336674
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-nitrophenyl)sulfonylpiperazine
CID 19684836
4,4-dimethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 110738697
1-(3-nitrophenyl)sulfonyl-2,3-dihydroindole
CID 2952438
7-methoxy-1-[(4-methylphenyl)methylsulfonyl]-3,4-dihydro-2H-quinolin-4-ol
CID 110637203
1-[(4-methoxyphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-1,4-diazepane
CID 112807814

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol (CID 110637225) is 7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol is COc1ccc2c(c1)N(S(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2O.
What is the InChIKey of 7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is CKDYXBIITQZRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-24-12-5-6-14-15(10-12)17(8-7-16(14)19)25(22,23)13-4-2-3-11(9-13)18(20)21/h2-6,9-10,16,19H,7-8H2,1H3.
What are the key properties of 7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 364.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).