6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one

C26H20IN3O3 — CID 135614680

IUPAC6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc2[nH]cc(/C=C/c3nc4ccc(I)cc4c(=O)n3-c3ccccc3OC)c2c1
InChIInChI=1S/C26H20IN3O3/c1-32-18-9-11-21-19(14-18)16(15-28-21)7-12-25-29-22-10-8-17(27)13-20(22)26(31)30(25)23-5-3-4-6-24(23)33-2/h3-15,28H,1-2H3/b12-7+
InChIKeyZXRDQBRSZKDYMA-KPKJPENVSA-N
MW549.37 g/mol
LogP5.66
Rot. Bonds5

About 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one

6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 135614680) has the molecular formula C26H20IN3O3 and a molecular weight of 549.37 g/mol. Its IUPAC name is 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
PubChem CID135614680
Molecular FormulaC26H20IN3O3
Molecular Weight549.37 g/mol
Exact Mass549.05
IUPAC Name6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc2[nH]cc(/C=C/c3nc4ccc(I)cc4c(=O)n3-c3ccccc3OC)c2c1
InChIInChI=1S/C26H20IN3O3/c1-32-18-9-11-21-19(14-18)16(15-28-21)7-12-25-29-22-10-8-17(27)13-20(22)26(31)30(25)23-5-3-4-6-24(23)33-2/h3-15,28H,1-2H3/b12-7+
InChIKeyZXRDQBRSZKDYMA-KPKJPENVSA-N
XLogP5.66
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.37
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one 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-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 135584614
6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-methylquinazolin-4-one
CID 135613379
3-benzyl-6-iodo-2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]quinazolin-4-one
CID 3568539
2-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3767381
2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-iodo-3-(2-methoxyphenyl)quinazolin-4-one
CID 4551242
2-[2-(1H-indol-3-yl)ethenyl]-6-iodo-3-methylquinazolin-4-one
CID 2909271
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 3713569
3-(2-chlorophenyl)-2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-6-iodoquinazolin-4-one
CID 3737871
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
3-benzyl-2-[2-(1H-indol-3-yl)ethenyl]-6-iodoquinazolin-4-one
CID 3313252
3-(4-bromophenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 6238654
2-[2-(4-fluorophenyl)ethenyl]-6-iodo-3-naphthalen-1-ylquinazolin-4-one
CID 5209750

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one (CID 135614680) is 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one is COc1ccc2[nH]cc(/C=C/c3nc4ccc(I)cc4c(=O)n3-c3ccccc3OC)c2c1.
What is the InChIKey of 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is ZXRDQBRSZKDYMA-KPKJPENVSA-N. The full InChI is InChI=1S/C26H20IN3O3/c1-32-18-9-11-21-19(14-18)16(15-28-21)7-12-25-29-22-10-8-17(27)13-20(22)26(31)30(25)23-5-3-4-6-24(23)33-2/h3-15,28H,1-2H3/b12-7+.
What are the key properties of 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one?
6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 549.37 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 135614680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).