2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline

C19H16N2O4 — CID 7528482

IUPAC2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline
SMILESCOc1cccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c1OC
InChIInChI=1S/C19H16N2O4/c1-24-17-8-4-6-14(19(17)25-2)10-12-15-11-9-13-5-3-7-16(21(22)23)18(13)20-15/h3-12H,1-2H3/b12-10+
InChIKeyKOPWPVRQDWJCQD-ZRDIBKRKSA-N
MW336.35 g/mol
LogP4.33
Rot. Bonds5

About 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline

2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline (PubChem CID 7528482) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline.

Molecular Properties

Compound Name2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline
PubChem CID7528482
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline
SMILESCOc1cccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c1OC
InChIInChI=1S/C19H16N2O4/c1-24-17-8-4-6-14(19(17)25-2)10-12-15-11-9-13-5-3-7-16(21(22)23)18(13)20-15/h3-12H,1-2H3/b12-10+
InChIKeyKOPWPVRQDWJCQD-ZRDIBKRKSA-N
XLogP4.33
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.33
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

2-[2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 4815960
2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline
CID 6214122
2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 4820170
[2-[(E)-2-(2-acetyloxy-3-methoxyphenyl)ethenyl]quinolin-8-yl] acetate
CID 7135840
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline
CID 7972371
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene
CID 6263432
2-[(E)-2-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-8-nitroquinoline
CID 7972380
8-nitro-2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]quinoline
CID 16797010
2-[2-(2-methoxyphenyl)ethenyl]quinolin-8-ol
CID 2907055
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline
CID 9447543
2-[2-(2,3-dimethoxyphenyl)ethenyl]quinoline-6-carboxylic acid
CID 91943397
[5-methyl-2-[2-(2-nitrophenyl)ethenyl]quinolin-8-yl] acetate
CID 2862082

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline?
The IUPAC name of 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline (CID 7528482) is 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline.
What is the SMILES notation for 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline?
The canonical SMILES for 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline is COc1cccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)c1OC.
What is the InChIKey of 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline?
The InChIKey is KOPWPVRQDWJCQD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-17-8-4-6-14(19(17)25-2)10-12-15-11-9-13-5-3-7-16(21(22)23)18(13)20-15/h3-12H,1-2H3/b12-10+.
What are the key properties of 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline?
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline has a molecular weight of 336.35 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline is sourced from PubChem (CID 7528482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).