8-bromo-5-chloropyrrolo[1,2-c]quinazoline

C11H6BrClN2 — CID 172603444

IUPAC8-bromo-5-chloropyrrolo[1,2-c]quinazoline
SMILESClc1nc2cc(Br)ccc2c2cccn12
InChIInChI=1S/C11H6BrClN2/c12-7-3-4-8-9(6-7)14-11(13)15-5-1-2-10(8)15/h1-6H
InChIKeyVUJHRMYBAAAGEC-UHFFFAOYSA-N
MW281.54 g/mol
LogP3.90
Rot. Bonds

About 8-bromo-5-chloropyrrolo[1,2-c]quinazoline

8-bromo-5-chloropyrrolo[1,2-c]quinazoline (PubChem CID 172603444) has the molecular formula C11H6BrClN2 and a molecular weight of 281.54 g/mol. Its IUPAC name is 8-bromo-5-chloropyrrolo[1,2-c]quinazoline.

Molecular Properties

Compound Name8-bromo-5-chloropyrrolo[1,2-c]quinazoline
PubChem CID172603444
Molecular FormulaC11H6BrClN2
Molecular Weight281.54 g/mol
Exact Mass279.94
IUPAC Name8-bromo-5-chloropyrrolo[1,2-c]quinazoline
SMILESClc1nc2cc(Br)ccc2c2cccn12
InChIInChI=1S/C11H6BrClN2/c12-7-3-4-8-9(6-7)14-11(13)15-5-1-2-10(8)15/h1-6H
InChIKeyVUJHRMYBAAAGEC-UHFFFAOYSA-N
XLogP3.90
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.54
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloropyrrolo[1,2-c]quinazoline?
The IUPAC name of 8-bromo-5-chloropyrrolo[1,2-c]quinazoline (CID 172603444) is 8-bromo-5-chloropyrrolo[1,2-c]quinazoline.
What is the SMILES notation for 8-bromo-5-chloropyrrolo[1,2-c]quinazoline?
The canonical SMILES for 8-bromo-5-chloropyrrolo[1,2-c]quinazoline is Clc1nc2cc(Br)ccc2c2cccn12.
What is the InChIKey of 8-bromo-5-chloropyrrolo[1,2-c]quinazoline?
The InChIKey is VUJHRMYBAAAGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2/c12-7-3-4-8-9(6-7)14-11(13)15-5-1-2-10(8)15/h1-6H.
What are the key properties of 8-bromo-5-chloropyrrolo[1,2-c]quinazoline?
8-bromo-5-chloropyrrolo[1,2-c]quinazoline has a molecular weight of 281.54 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-chloropyrrolo[1,2-c]quinazoline is sourced from PubChem (CID 172603444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).