7-bromo-4-chloro-2-propan-2-ylquinazoline

C11H10BrClN2 — CID 53404537

IUPAC7-bromo-4-chloro-2-propan-2-ylquinazoline
SMILESCC(C)c1nc(Cl)c2ccc(Br)cc2n1
InChIInChI=1S/C11H10BrClN2/c1-6(2)11-14-9-5-7(12)3-4-8(9)10(13)15-11/h3-6H,1-2H3
InChIKeyUKVPMUMFQNOIJG-UHFFFAOYSA-N
MW285.57 g/mol
LogP4.17
Rot. Bonds1

About 7-bromo-4-chloro-2-propan-2-ylquinazoline

7-bromo-4-chloro-2-propan-2-ylquinazoline (PubChem CID 53404537) has the molecular formula C11H10BrClN2 and a molecular weight of 285.57 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-propan-2-ylquinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-propan-2-ylquinazoline
PubChem CID53404537
Molecular FormulaC11H10BrClN2
Molecular Weight285.57 g/mol
Exact Mass283.97
IUPAC Name7-bromo-4-chloro-2-propan-2-ylquinazoline
SMILESCC(C)c1nc(Cl)c2ccc(Br)cc2n1
InChIInChI=1S/C11H10BrClN2/c1-6(2)11-14-9-5-7(12)3-4-8(9)10(13)15-11/h3-6H,1-2H3
InChIKeyUKVPMUMFQNOIJG-UHFFFAOYSA-N
XLogP4.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-propan-2-ylquinazoline?
The IUPAC name of 7-bromo-4-chloro-2-propan-2-ylquinazoline (CID 53404537) is 7-bromo-4-chloro-2-propan-2-ylquinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-propan-2-ylquinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-propan-2-ylquinazoline is CC(C)c1nc(Cl)c2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-4-chloro-2-propan-2-ylquinazoline?
The InChIKey is UKVPMUMFQNOIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2/c1-6(2)11-14-9-5-7(12)3-4-8(9)10(13)15-11/h3-6H,1-2H3.
What are the key properties of 7-bromo-4-chloro-2-propan-2-ylquinazoline?
7-bromo-4-chloro-2-propan-2-ylquinazoline has a molecular weight of 285.57 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2-propan-2-ylquinazoline is sourced from PubChem (CID 53404537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).