4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline

C16H12ClIN2 — CID 114589357

IUPAC4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline
SMILESCc1cccc(-c2nc(Cl)c3cc(I)ccc3n2)c1C
InChIInChI=1S/C16H12ClIN2/c1-9-4-3-5-12(10(9)2)16-19-14-7-6-11(18)8-13(14)15(17)20-16/h3-8H,1-2H3
InChIKeyLERUVTDHMSYZJJ-UHFFFAOYSA-N
MW394.64 g/mol
LogP5.17
Rot. Bonds1

About 4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline

4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline (PubChem CID 114589357) has the molecular formula C16H12ClIN2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline
PubChem CID114589357
Molecular FormulaC16H12ClIN2
Molecular Weight394.64 g/mol
Exact Mass393.97
IUPAC Name4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline
SMILESCc1cccc(-c2nc(Cl)c3cc(I)ccc3n2)c1C
InChIInChI=1S/C16H12ClIN2/c1-9-4-3-5-12(10(9)2)16-19-14-7-6-11(18)8-13(14)15(17)20-16/h3-8H,1-2H3
InChIKeyLERUVTDHMSYZJJ-UHFFFAOYSA-N
XLogP5.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2,3-dimethylphenyl)-6-methylquinazoline
CID 63496973
4-chloro-2-(2,3-dimethylphenyl)-7-methoxyquinazoline
CID 114590549
4-chloro-6-ethyl-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114590671
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
4-chloro-6-fluoro-2-(5-fluoro-2-methylphenyl)quinazoline
CID 63085513
4,6-dichloro-2-(2,5-dimethylphenyl)quinazoline
CID 63496783
6-bromo-4-chloro-7-fluoro-2-(2-fluoro-3-methylphenyl)quinazoline
CID 114591270
4-chloro-2-(2-chlorophenyl)-7-fluoro-6-methylquinazoline
CID 114591625
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293
4-chloro-6-iodo-2-propylquinazoline
CID 10616606
4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
4-chloro-5-methyl-2-(2-methylphenyl)quinazoline
CID 63086200

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline?
The IUPAC name of 4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline (CID 114589357) is 4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline.
What is the SMILES notation for 4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline?
The canonical SMILES for 4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline is Cc1cccc(-c2nc(Cl)c3cc(I)ccc3n2)c1C.
What is the InChIKey of 4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline?
The InChIKey is LERUVTDHMSYZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClIN2/c1-9-4-3-5-12(10(9)2)16-19-14-7-6-11(18)8-13(14)15(17)20-16/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline?
4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline has a molecular weight of 394.64 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dimethylphenyl)-6-iodoquinazoline is sourced from PubChem (CID 114589357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).