4-chloro-6-iodo-2-propylquinazoline

C11H10ClIN2 — CID 10616606

IUPAC4-chloro-6-iodo-2-propylquinazoline
SMILESCCCc1nc(Cl)c2cc(I)ccc2n1
InChIInChI=1S/C11H10ClIN2/c1-2-3-10-14-9-5-4-7(13)6-8(9)11(12)15-10/h4-6H,2-3H2,1H3
InChIKeyOKOQLRGLBGWSPT-UHFFFAOYSA-N
MW332.57 g/mol
LogP3.84
Rot. Bonds2

About 4-chloro-6-iodo-2-propylquinazoline

4-chloro-6-iodo-2-propylquinazoline (PubChem CID 10616606) has the molecular formula C11H10ClIN2 and a molecular weight of 332.57 g/mol. Its IUPAC name is 4-chloro-6-iodo-2-propylquinazoline.

Molecular Properties

Compound Name4-chloro-6-iodo-2-propylquinazoline
PubChem CID10616606
Molecular FormulaC11H10ClIN2
Molecular Weight332.57 g/mol
Exact Mass331.96
IUPAC Name4-chloro-6-iodo-2-propylquinazoline
SMILESCCCc1nc(Cl)c2cc(I)ccc2n1
InChIInChI=1S/C11H10ClIN2/c1-2-3-10-14-9-5-4-7(13)6-8(9)11(12)15-10/h4-6H,2-3H2,1H3
InChIKeyOKOQLRGLBGWSPT-UHFFFAOYSA-N
XLogP3.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-iodo-2-propylquinazoline?
The IUPAC name of 4-chloro-6-iodo-2-propylquinazoline (CID 10616606) is 4-chloro-6-iodo-2-propylquinazoline.
What is the SMILES notation for 4-chloro-6-iodo-2-propylquinazoline?
The canonical SMILES for 4-chloro-6-iodo-2-propylquinazoline is CCCc1nc(Cl)c2cc(I)ccc2n1.
What is the InChIKey of 4-chloro-6-iodo-2-propylquinazoline?
The InChIKey is OKOQLRGLBGWSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2/c1-2-3-10-14-9-5-4-7(13)6-8(9)11(12)15-10/h4-6H,2-3H2,1H3.
What are the key properties of 4-chloro-6-iodo-2-propylquinazoline?
4-chloro-6-iodo-2-propylquinazoline has a molecular weight of 332.57 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-iodo-2-propylquinazoline is sourced from PubChem (CID 10616606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).