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

C19H15IN2O2 — CID 89373275

IUPAC2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
SMILESCc1ccc([N+](=O)[O-])c(/C=C/c2cc3ccccc3nc2CI)c1
InChIInChI=1S/C19H15IN2O2/c1-13-6-9-19(22(23)24)16(10-13)8-7-15-11-14-4-2-3-5-17(14)21-18(15)12-20/h2-11H,12H2,1H3/b8-7+
InChIKeyROEQVGRLCKJHPI-BQYQJAHWSA-N
MW430.25 g/mol
LogP5.56
Rot. Bonds4

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

2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline (PubChem CID 89373275) has the molecular formula C19H15IN2O2 and a molecular weight of 430.25 g/mol. Its IUPAC name is 2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
PubChem CID89373275
Molecular FormulaC19H15IN2O2
Molecular Weight430.25 g/mol
Exact Mass430.02
IUPAC Name2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
SMILESCc1ccc([N+](=O)[O-])c(/C=C/c2cc3ccccc3nc2CI)c1
InChIInChI=1S/C19H15IN2O2/c1-13-6-9-19(22(23)24)16(10-13)8-7-15-11-14-4-2-3-5-17(14)21-18(15)12-20/h2-11H,12H2,1H3/b8-7+
InChIKeyROEQVGRLCKJHPI-BQYQJAHWSA-N
XLogP5.56
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.25
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
CID 11738716
3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline
CID 11405090
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-(2-methoxyethyl)-3-nitroquinoline
CID 140973022
2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-5-nitroquinoline
CID 6185582
1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 818054
2-methoxy-3-[(E)-2-[2-nitro-5-(2-piperidin-1-ylethoxy)phenyl]ethenyl]quinoline
CID 11189704
1-[2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 54507727
1-[(E)-2-(4-chloro-2-nitrophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 21446805
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
2-(5-methyl-2-nitrophenyl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5-one
CID 3973162

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline?
The IUPAC name of 2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline (CID 89373275) is 2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline.
What is the SMILES notation for 2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline?
The canonical SMILES for 2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline is Cc1ccc([N+](=O)[O-])c(/C=C/c2cc3ccccc3nc2CI)c1.
What is the InChIKey of 2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline?
The InChIKey is ROEQVGRLCKJHPI-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H15IN2O2/c1-13-6-9-19(22(23)24)16(10-13)8-7-15-11-14-4-2-3-5-17(14)21-18(15)12-20/h2-11H,12H2,1H3/b8-7+.
What are the key properties of 2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline?
2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline has a molecular weight of 430.25 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline is sourced from PubChem (CID 89373275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).