2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline

C19H16N2O3 — CID 6214122

IUPAC2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline
SMILESCCOc1ccccc1/C=C/c1ccc2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H16N2O3/c1-2-24-18-9-4-3-6-14(18)10-12-16-13-11-15-7-5-8-17(21(22)23)19(15)20-16/h3-13H,2H2,1H3/b12-10+
InChIKeyMRDBFDQJKVPJOF-ZRDIBKRKSA-N
MW320.35 g/mol
LogP4.71
Rot. Bonds5

About 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline

2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline (PubChem CID 6214122) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline.

Molecular Properties

Compound Name2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline
PubChem CID6214122
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline
SMILESCCOc1ccccc1/C=C/c1ccc2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H16N2O3/c1-2-24-18-9-4-3-6-14(18)10-12-16-13-11-15-7-5-8-17(21(22)23)19(15)20-16/h3-13H,2H2,1H3/b12-10+
InChIKeyMRDBFDQJKVPJOF-ZRDIBKRKSA-N
XLogP4.71
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 7528482
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 4815960
2-[(E)-2-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-8-nitroquinoline
CID 7972380
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline
CID 7972371
8-nitro-2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]quinoline
CID 16797010
5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline
CID 3395564
2-[2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 2907055
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
2-methyl-8-[4-(2-nitrophenoxy)butoxy]quinoline
CID 2182124
2-[(E)-2-[2-(pyridin-2-ylmethoxy)phenyl]ethenyl]quinolin-8-ol
CID 24628167
2-[2-(2-bromo-5-ethoxy-4-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 2966233
2-[2-(4-butoxy-3-ethoxyphenyl)ethenyl]-5-nitroquinoline
CID 5032950

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline?
The IUPAC name of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline (CID 6214122) is 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline.
What is the SMILES notation for 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline?
The canonical SMILES for 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline is CCOc1ccccc1/C=C/c1ccc2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline?
The InChIKey is MRDBFDQJKVPJOF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-2-24-18-9-4-3-6-14(18)10-12-16-13-11-15-7-5-8-17(21(22)23)19(15)20-16/h3-13H,2H2,1H3/b12-10+.
What are the key properties of 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline?
2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline has a molecular weight of 320.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline is sourced from PubChem (CID 6214122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).