2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline

C19H16N2O3 — CID 11738716

IUPAC2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
SMILESCOc1nc2ccccc2cc1/C=C/c1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O3/c1-13-7-10-18(21(22)23)15(11-13)8-9-16-12-14-5-3-4-6-17(14)20-19(16)24-2/h3-12H,1-2H3/b9-8+
InChIKeyIZVPQICSVBRQSI-CMDGGOBGSA-N
MW320.35 g/mol
LogP4.63
Rot. Bonds4

About 2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline

2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline (PubChem CID 11738716) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
PubChem CID11738716
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
SMILESCOc1nc2ccccc2cc1/C=C/c1cc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H16N2O3/c1-13-7-10-18(21(22)23)15(11-13)8-9-16-12-14-5-3-4-6-17(14)20-19(16)24-2/h3-12H,1-2H3/b9-8+
InChIKeyIZVPQICSVBRQSI-CMDGGOBGSA-N
XLogP4.63
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.63
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

3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline
CID 11405090
2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
CID 89373275
2-methoxy-3-[(E)-2-[2-nitro-5-[(4-sulfanylpiperazin-1-yl)methyl]phenyl]ethenyl]quinoline
CID 142981829
2-methoxy-3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitrophenyl]ethenyl]quinoline
CID 11271626
2-methoxy-3-[(E)-2-[2-nitro-5-(2-piperidin-1-ylethoxy)phenyl]ethenyl]quinoline
CID 11189704
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
CID 127040972
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline
CID 6185582
1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170
1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 818054
3-(2-methoxyquinolin-3-yl)-1-thiophen-3-ylprop-2-en-1-one
CID 91941475
2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
CID 158310859

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline?
The IUPAC name of 2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline (CID 11738716) is 2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline.
What is the SMILES notation for 2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline?
The canonical SMILES for 2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline is COc1nc2ccccc2cc1/C=C/c1cc(C)ccc1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline?
The InChIKey is IZVPQICSVBRQSI-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13-7-10-18(21(22)23)15(11-13)8-9-16-12-14-5-3-4-6-17(14)20-19(16)24-2/h3-12H,1-2H3/b9-8+.
What are the key properties of 2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline?
2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline has a molecular weight of 320.35 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline is sourced from PubChem (CID 11738716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).