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'}

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Related Compounds

2-(4,5-dimethoxy-2-nitrophenyl)-1H-benzimidazole
CID 671086
1-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxy-2-nitrobenzene
CID 10408539
2-(6,7-dimethoxyquinolin-2-yl)-N-ethyl-4,5-dimethoxyaniline
CID 12695186
5-(4,5-dimethoxy-2-nitrophenyl)-3H-1,3,4-oxadiazol-2-one
CID 51063963
2-azulen-2-yl-6,7-dimethoxyquinoline
CID 10591430
(4,5-dimethoxy-2-nitrophenyl)-(4-methoxyphenyl)methanol
CID 4598455
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122
3-(4,5-dimethoxy-2-nitrophenyl)-6-nitrochromen-2-one
CID 2253092
1-[[5-(4,5-dimethoxy-2-nitrophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 126610664
2-(4,5-dimethoxy-2-nitrophenyl)-1H-imidazole-5-carbaldehyde
CID 87405399
2-(4,5-dimethoxy-2-nitrophenyl)-2-hydroxyacetonitrile
CID 171371576

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).