6-iodo-2-[4-(methylamino)phenyl]chromen-4-one

C16H12INO2 — CID 11632242

IUPAC6-iodo-2-[4-(methylamino)phenyl]chromen-4-one
SMILESCNc1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1
InChIInChI=1S/C16H12INO2/c1-18-12-5-2-10(3-6-12)16-9-14(19)13-8-11(17)4-7-15(13)20-16/h2-9,18H,1H3
InChIKeyQIZWRTNISFPGTO-UHFFFAOYSA-N
MW377.18 g/mol
LogP4.11
Rot. Bonds2

About 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one

6-iodo-2-[4-(methylamino)phenyl]chromen-4-one (PubChem CID 11632242) has the molecular formula C16H12INO2 and a molecular weight of 377.18 g/mol. Its IUPAC name is 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one.

Molecular Properties

Compound Name6-iodo-2-[4-(methylamino)phenyl]chromen-4-one
PubChem CID11632242
Molecular FormulaC16H12INO2
Molecular Weight377.18 g/mol
Exact Mass376.99
IUPAC Name6-iodo-2-[4-(methylamino)phenyl]chromen-4-one
SMILESCNc1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1
InChIInChI=1S/C16H12INO2/c1-18-12-5-2-10(3-6-12)16-9-14(19)13-8-11(17)4-7-15(13)20-16/h2-9,18H,1H3
InChIKeyQIZWRTNISFPGTO-UHFFFAOYSA-N
XLogP4.11
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-iodo-2-[4-(methylamino)phenyl]chromen-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

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one?
The IUPAC name of 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one (CID 11632242) is 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one.
What is the SMILES notation for 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one?
The canonical SMILES for 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one is CNc1ccc(-c2cc(=O)c3cc(I)ccc3o2)cc1.
What is the InChIKey of 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one?
The InChIKey is QIZWRTNISFPGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12INO2/c1-18-12-5-2-10(3-6-12)16-9-14(19)13-8-11(17)4-7-15(13)20-16/h2-9,18H,1H3.
What are the key properties of 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one?
6-iodo-2-[4-(methylamino)phenyl]chromen-4-one has a molecular weight of 377.18 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one is sourced from PubChem (CID 11632242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).