(2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline

C15H16N2O4 — CID 158186269

IUPAC(2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline
SMILESC/C=c1/nc2cc(OC)cc(OC)c2c/c1=C/C[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-4-13-10(5-6-17(18)19)7-12-14(16-13)8-11(20-2)9-15(12)21-3/h4-5,7-9H,6H2,1-3H3/b10-5-,13-4+
InChIKeyFZEFKSVOIYHNGF-BGQKRFEOSA-N
MW288.30 g/mol
LogP1.11
Rot. Bonds4

About (2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline

(2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline (PubChem CID 158186269) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline
PubChem CID158186269
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline
SMILESC/C=c1/nc2cc(OC)cc(OC)c2c/c1=C/C[N+](=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-4-13-10(5-6-17(18)19)7-12-14(16-13)8-11(20-2)9-15(12)21-3/h4-5,7-9H,6H2,1-3H3/b10-5-,13-4+
InChIKeyFZEFKSVOIYHNGF-BGQKRFEOSA-N
XLogP1.11
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.11
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

1,3,6,8-tetramethoxyacridine
CID 175793272
5,7-dimethoxy-3-methylquinolin-2-amine
CID 63232255
(3-ethyl-5,7-dimethoxyquinolin-2-yl)hydrazine
CID 63233121
1,3,5-trimethoxy-2-nitrobenzene
CID 518903
1,2,5-trimethoxy-3-(2-nitroprop-1-enyl)benzene
CID 620061
2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
CID 84625416
5,7-dimethoxyquinolin-3-ol
CID 10081664
4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
1,3,7-trimethoxynaphthalene
CID 102088907
2,3,5-trimethoxybenzenesulfinate
CID 67493178
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
2,4-dimethoxy-1-(1-nitroprop-2-enyl)benzene
CID 87647000

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline?
The IUPAC name of (2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline (CID 158186269) is (2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline.
What is the SMILES notation for (2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline?
The canonical SMILES for (2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline is C/C=c1/nc2cc(OC)cc(OC)c2c/c1=C/C[N+](=O)[O-].
What is the InChIKey of (2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline?
The InChIKey is FZEFKSVOIYHNGF-BGQKRFEOSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-4-13-10(5-6-17(18)19)7-12-14(16-13)8-11(20-2)9-15(12)21-3/h4-5,7-9H,6H2,1-3H3/b10-5-,13-4+.
What are the key properties of (2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline?
(2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline has a molecular weight of 288.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-5,7-dimethoxy-3-(2-nitroethylidene)quinoline is sourced from PubChem (CID 158186269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).