2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline

C19H18N2O6 — CID 12695180

IUPAC2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline
SMILESCOc1cc(-c2ccc3cc(OC)c(OC)cc3n2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H18N2O6/c1-24-16-7-11-5-6-13(20-14(11)9-18(16)26-3)12-8-17(25-2)19(27-4)10-15(12)21(22)23/h5-10H,1-4H3
InChIKeyUBWGTZCJRNHIME-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.84
Rot. Bonds6

About 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline

2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline (PubChem CID 12695180) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline
PubChem CID12695180
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline
SMILESCOc1cc(-c2ccc3cc(OC)c(OC)cc3n2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C19H18N2O6/c1-24-16-7-11-5-6-13(20-14(11)9-18(16)26-3)12-8-17(25-2)19(27-4)10-15(12)21(22)23/h5-10H,1-4H3
InChIKeyUBWGTZCJRNHIME-UHFFFAOYSA-N
XLogP3.84
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline?
The IUPAC name of 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline (CID 12695180) is 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline.
What is the SMILES notation for 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline?
The canonical SMILES for 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline is COc1cc(-c2ccc3cc(OC)c(OC)cc3n2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline?
The InChIKey is UBWGTZCJRNHIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-24-16-7-11-5-6-13(20-14(11)9-18(16)26-3)12-8-17(25-2)19(27-4)10-15(12)21(22)23/h5-10H,1-4H3.
What are the key properties of 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline?
2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline has a molecular weight of 370.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-nitrophenyl)-6,7-dimethoxyquinoline is sourced from PubChem (CID 12695180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).