3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one

C14H7BrClIN2O — CID 67982198

IUPAC3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one
SMILESO=c1c2cc(I)ccc2nc(Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C14H7BrClIN2O/c15-8-1-4-10(5-2-8)19-13(20)11-7-9(17)3-6-12(11)18-14(19)16/h1-7H
InChIKeyKKRNFJGWPBWLQI-UHFFFAOYSA-N
MW461.48 g/mol
LogP4.41
Rot. Bonds1

About 3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one

3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one (PubChem CID 67982198) has the molecular formula C14H7BrClIN2O and a molecular weight of 461.48 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one
PubChem CID67982198
Molecular FormulaC14H7BrClIN2O
Molecular Weight461.48 g/mol
Exact Mass459.85
IUPAC Name3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one
SMILESO=c1c2cc(I)ccc2nc(Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C14H7BrClIN2O/c15-8-1-4-10(5-2-8)19-13(20)11-7-9(17)3-6-12(11)18-14(19)16/h1-7H
InChIKeyKKRNFJGWPBWLQI-UHFFFAOYSA-N
XLogP4.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one (CID 67982198) is 3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one is O=c1c2cc(I)ccc2nc(Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one?
The InChIKey is KKRNFJGWPBWLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClIN2O/c15-8-1-4-10(5-2-8)19-13(20)11-7-9(17)3-6-12(11)18-14(19)16/h1-7H.
What are the key properties of 3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one?
3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one has a molecular weight of 461.48 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-chloro-6-iodoquinazolin-4-one is sourced from PubChem (CID 67982198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).