2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol

C18H13IN2O4 — CID 135557857

IUPAC2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol
SMILESCOc1cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc(I)c1O
InChIInChI=1S/C18H13IN2O4/c1-25-17-10-11(9-14(19)18(17)22)5-6-12-7-8-13-15(20-12)3-2-4-16(13)21(23)24/h2-10,22H,1H3/b6-5+
InChIKeyGVSZVVQGQFSHNE-AATRIKPKSA-N
MW448.22 g/mol
LogP4.63
Rot. Bonds4

About 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol

2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol (PubChem CID 135557857) has the molecular formula C18H13IN2O4 and a molecular weight of 448.22 g/mol. Its IUPAC name is 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol
PubChem CID135557857
Molecular FormulaC18H13IN2O4
Molecular Weight448.22 g/mol
Exact Mass447.99
IUPAC Name2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol
SMILESCOc1cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc(I)c1O
InChIInChI=1S/C18H13IN2O4/c1-25-17-10-11(9-14(19)18(17)22)5-6-12-7-8-13-15(20-12)3-2-4-16(13)21(23)24/h2-10,22H,1H3/b6-5+
InChIKeyGVSZVVQGQFSHNE-AATRIKPKSA-N
XLogP4.63
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.22
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol 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-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5-nitroquinoline
CID 9447581
2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-nitroquinoline
CID 9447543
2-[2-(4-methylsulfanylphenyl)ethenyl]-5-nitroquinoline
CID 3451243
2-[2-(4-butoxy-3-ethoxyphenyl)ethenyl]-5-nitroquinoline
CID 5032950
2-iodo-6-methoxy-4-[(E)-2-nitroethenyl]phenol
CID 1494561
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-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 4820170
5-nitro-2-[2-(2-phenylmethoxyphenyl)ethenyl]quinoline
CID 3395564
2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitroquinoline
CID 9447549
[2-[(E)-2-(4-acetyloxy-3-iodo-5-methoxyphenyl)ethenyl]quinolin-4-yl] acetate
CID 26366882
N-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3413391

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol?
The IUPAC name of 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol (CID 135557857) is 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol.
What is the SMILES notation for 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol?
The canonical SMILES for 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol is COc1cc(/C=C/c2ccc3c([N+](=O)[O-])cccc3n2)cc(I)c1O.
What is the InChIKey of 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol?
The InChIKey is GVSZVVQGQFSHNE-AATRIKPKSA-N. The full InChI is InChI=1S/C18H13IN2O4/c1-25-17-10-11(9-14(19)18(17)22)5-6-12-7-8-13-15(20-12)3-2-4-16(13)21(23)24/h2-10,22H,1H3/b6-5+.
What are the key properties of 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol?
2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol has a molecular weight of 448.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol is sourced from PubChem (CID 135557857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).