5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline

C24H18N2O3 — CID 3395564

IUPAC5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline
SMILESO=[N+]([O-])c1cccc2nc(C=Cc3ccccc3OCc3ccccc3)ccc12
InChIInChI=1S/C24H18N2O3/c27-26(28)23-11-6-10-22-21(23)16-15-20(25-22)14-13-19-9-4-5-12-24(19)29-17-18-7-2-1-3-8-18/h1-16H,17H2
InChIKeyDQTASZHVRAELBS-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.89
Rot. Bonds6

About 5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline

5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline (PubChem CID 3395564) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline
PubChem CID3395564
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline
SMILESO=[N+]([O-])c1cccc2nc(C=Cc3ccccc3OCc3ccccc3)ccc12
InChIInChI=1S/C24H18N2O3/c27-26(28)23-11-6-10-22-21(23)16-15-20(25-22)14-13-19-9-4-5-12-24(19)29-17-18-7-2-1-3-8-18/h1-16H,17H2
InChIKeyDQTASZHVRAELBS-UHFFFAOYSA-N
XLogP5.89
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.89
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-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline
CID 9447543
2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 3465624
2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline
CID 6214122
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline
CID 6185582
5-nitro-2-[2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinoline
CID 3671675
2-[(E)-2-[2-[(4-bromophenyl)methoxy]phenyl]ethenyl]quinoline
CID 19590683
2-[2-(4-butoxy-3-ethoxyphenyl)ethenyl]-5-nitroquinoline
CID 5032950
2-[(E)-2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]quinoline
CID 52643093
2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitroquinoline
CID 9447549
2-[2-(4-methylsulfanylphenyl)ethenyl]-5-nitroquinoline
CID 3451243
2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol
CID 135557857
2-[2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]-5-nitroquinoline
CID 5145871

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline?
The IUPAC name of 5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline (CID 3395564) is 5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline.
What is the SMILES notation for 5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline?
The canonical SMILES for 5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline is O=[N+]([O-])c1cccc2nc(C=Cc3ccccc3OCc3ccccc3)ccc12.
What is the InChIKey of 5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline?
The InChIKey is DQTASZHVRAELBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c27-26(28)23-11-6-10-22-21(23)16-15-20(25-22)14-13-19-9-4-5-12-24(19)29-17-18-7-2-1-3-8-18/h1-16H,17H2.
What are the key properties of 5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline?
5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline has a molecular weight of 382.42 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline is sourced from PubChem (CID 3395564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).