7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline

C19H16N4O4 — CID 139490492

IUPAC7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline
SMILESCOc1cc2ncc3nc(-c4ccc([N+](=O)[O-])cc4)n(C)c3c2cc1OC
InChIInChI=1S/C19H16N4O4/c1-22-18-13-8-16(26-2)17(27-3)9-14(13)20-10-15(18)21-19(22)11-4-6-12(7-5-11)23(24)25/h4-10H,1-3H3
InChIKeyVUHPMVNAUBZQIR-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.71
Rot. Bonds4

About 7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline

7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline (PubChem CID 139490492) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline
PubChem CID139490492
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline
SMILESCOc1cc2ncc3nc(-c4ccc([N+](=O)[O-])cc4)n(C)c3c2cc1OC
InChIInChI=1S/C19H16N4O4/c1-22-18-13-8-16(26-2)17(27-3)9-14(13)20-10-15(18)21-19(22)11-4-6-12(7-5-11)23(24)25/h4-10H,1-3H3
InChIKeyVUHPMVNAUBZQIR-UHFFFAOYSA-N
XLogP3.71
TPSA92.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.71
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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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline?
The IUPAC name of 7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline (CID 139490492) is 7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline is COc1cc2ncc3nc(-c4ccc([N+](=O)[O-])cc4)n(C)c3c2cc1OC.
What is the InChIKey of 7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline?
The InChIKey is VUHPMVNAUBZQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-22-18-13-8-16(26-2)17(27-3)9-14(13)20-10-15(18)21-19(22)11-4-6-12(7-5-11)23(24)25/h4-10H,1-3H3.
What are the key properties of 7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline?
7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline has a molecular weight of 364.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-1-methyl-2-(4-nitrophenyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 139490492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).