6,7-dimethoxy-3-(4-nitrophenyl)quinoline

C17H14N2O4 — CID 11722903

IUPAC6,7-dimethoxy-3-(4-nitrophenyl)quinoline
SMILESCOc1cc2cc(-c3ccc([N+](=O)[O-])cc3)cnc2cc1OC
InChIInChI=1S/C17H14N2O4/c1-22-16-8-12-7-13(10-18-15(12)9-17(16)23-2)11-3-5-14(6-4-11)19(20)21/h3-10H,1-2H3
InChIKeyFLEDIDSHIXDOQR-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.83
Rot. Bonds4

About 6,7-dimethoxy-3-(4-nitrophenyl)quinoline

6,7-dimethoxy-3-(4-nitrophenyl)quinoline (PubChem CID 11722903) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-nitrophenyl)quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-nitrophenyl)quinoline
PubChem CID11722903
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name6,7-dimethoxy-3-(4-nitrophenyl)quinoline
SMILESCOc1cc2cc(-c3ccc([N+](=O)[O-])cc3)cnc2cc1OC
InChIInChI=1S/C17H14N2O4/c1-22-16-8-12-7-13(10-18-15(12)9-17(16)23-2)11-3-5-14(6-4-11)19(20)21/h3-10H,1-2H3
InChIKeyFLEDIDSHIXDOQR-UHFFFAOYSA-N
XLogP3.83
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.83
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'}

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
Palmatine Chloride
CID 73442
6,7-Dimethoxy-3-phenylquinoxaline
CID 2049
6,7-Dimethoxy-1-methylisoquinoline
CID 20725
6-Methoxy-8-nitroquinoline
CID 6822
4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
4-[(3-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328844
4-[(4-Fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-nitrophenyl)quinoline?
The IUPAC name of 6,7-dimethoxy-3-(4-nitrophenyl)quinoline (CID 11722903) is 6,7-dimethoxy-3-(4-nitrophenyl)quinoline.
What is the SMILES notation for 6,7-dimethoxy-3-(4-nitrophenyl)quinoline?
The canonical SMILES for 6,7-dimethoxy-3-(4-nitrophenyl)quinoline is COc1cc2cc(-c3ccc([N+](=O)[O-])cc3)cnc2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-(4-nitrophenyl)quinoline?
The InChIKey is FLEDIDSHIXDOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-16-8-12-7-13(10-18-15(12)9-17(16)23-2)11-3-5-14(6-4-11)19(20)21/h3-10H,1-2H3.
What are the key properties of 6,7-dimethoxy-3-(4-nitrophenyl)quinoline?
6,7-dimethoxy-3-(4-nitrophenyl)quinoline has a molecular weight of 310.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-nitrophenyl)quinoline is sourced from PubChem (CID 11722903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).