1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline

C17H18N2O6S — CID 110291977

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1
InChIInChI=1S/C17H18N2O6S/c1-24-14-7-8-16(25-2)17(11-14)26(22,23)18-9-3-4-12-5-6-13(19(20)21)10-15(12)18/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyUOVVUNOWLXLVCO-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.75
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline

1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline (PubChem CID 110291977) has the molecular formula C17H18N2O6S and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
PubChem CID110291977
Molecular FormulaC17H18N2O6S
Molecular Weight378.41 g/mol
Exact Mass378.09
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1
InChIInChI=1S/C17H18N2O6S/c1-24-14-7-8-16(25-2)17(11-14)26(22,23)18-9-3-4-12-5-6-13(19(20)21)10-15(12)18/h5-8,10-11H,3-4,9H2,1-2H3
InChIKeyUOVVUNOWLXLVCO-UHFFFAOYSA-N
XLogP2.75
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
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

1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 3852643
1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 110287385
1-(3-methylphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 110291985
N,N-dimethyl-7-nitro-3,4-dihydro-2H-quinoline-1-sulfonamide
CID 110291960
6-nitro-1-(4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110287404
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(4-nitrophenyl)methyl]piperazine
CID 8803994
methyl 2-[[7-[(2,5-dimethoxyphenyl)sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzoate
CID 141486276
1-cyclohexylsulfonyl-7-nitro-3,4-dihydro-2H-quinoline
CID 122630596
1-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-2,3-dihydroquinolin-4-one
CID 110635273
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide
CID 43990532

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline (CID 110291977) is 1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline is COc1ccc(OC)c(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline?
The InChIKey is UOVVUNOWLXLVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O6S/c1-24-14-7-8-16(25-2)17(11-14)26(22,23)18-9-3-4-12-5-6-13(19(20)21)10-15(12)18/h5-8,10-11H,3-4,9H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline?
1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline has a molecular weight of 378.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-7-nitro-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110291977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).