6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline

C16H14N2O5S — CID 135068499

IUPAC6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline
SMILESCOc1ccc2c(c1)C=CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O5S/c1-23-14-6-9-16-12(11-14)3-2-10-17(16)24(21,22)15-7-4-13(5-8-15)18(19)20/h2-9,11H,10H2,1H3
InChIKeySSVRUBAYSQMBGN-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.83
Rot. Bonds4

About 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline

6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline (PubChem CID 135068499) has the molecular formula C16H14N2O5S and a molecular weight of 346.36 g/mol. Its IUPAC name is 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline.

Molecular Properties

Compound Name6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline
PubChem CID135068499
Molecular FormulaC16H14N2O5S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline
SMILESCOc1ccc2c(c1)C=CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N2O5S/c1-23-14-6-9-16-12(11-14)3-2-10-17(16)24(21,22)15-7-4-13(5-8-15)18(19)20/h2-9,11H,10H2,1H3
InChIKeySSVRUBAYSQMBGN-UHFFFAOYSA-N
XLogP2.83
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
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'}

Analyze 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline 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

6-methoxy-1-(2-nitrophenyl)sulfonyl-2H-quinoline
CID 44549298
1-chloro-6-methoxy-2H-quinoline
CID 21080140
1-(3-methoxyphenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 7765612
2-(2,5-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 17404197
1-methyl-4-[4-(4-nitrophenoxy)phenyl]sulfonylpiperazine
CID 1107115
(2S,3S)-2-(3-methoxyphenyl)-3-methyl-1-(4-nitrophenyl)sulfonylaziridine
CID 89348821
(3S)-3-[(4-methoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-3,5-dihydro-1H-1,4-diazepin-2-one
CID 139253608
7-methoxy-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637225
1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 3852643
3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257924
6-methoxy-1-propyl-2H-quinoline;hydroiodide
CID 70449070
1-(4-chloro-2-nitrophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 9111502

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline?
The IUPAC name of 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline (CID 135068499) is 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline.
What is the SMILES notation for 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline?
The canonical SMILES for 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline is COc1ccc2c(c1)C=CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline?
The InChIKey is SSVRUBAYSQMBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5S/c1-23-14-6-9-16-12(11-14)3-2-10-17(16)24(21,22)15-7-4-13(5-8-15)18(19)20/h2-9,11H,10H2,1H3.
What are the key properties of 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline?
6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline has a molecular weight of 346.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-nitrophenyl)sulfonyl-2H-quinoline is sourced from PubChem (CID 135068499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).