8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione

C15H6BrClN2O2 — CID 86003970

IUPAC8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(Br)ccc2-n2c1nc1ccc(Cl)cc1c2=O
InChIInChI=1S/C15H6BrClN2O2/c16-7-1-4-12-10(5-7)13(20)14-18-11-3-2-8(17)6-9(11)15(21)19(12)14/h1-6H
InChIKeyHJETZUOXLCYVPZ-UHFFFAOYSA-N
MW361.58 g/mol
LogP3.35
Rot. Bonds

About 8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione

8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione (PubChem CID 86003970) has the molecular formula C15H6BrClN2O2 and a molecular weight of 361.58 g/mol. Its IUPAC name is 8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione.

Molecular Properties

Compound Name8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione
PubChem CID86003970
Molecular FormulaC15H6BrClN2O2
Molecular Weight361.58 g/mol
Exact Mass359.93
IUPAC Name8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione
SMILESO=C1c2cc(Br)ccc2-n2c1nc1ccc(Cl)cc1c2=O
InChIInChI=1S/C15H6BrClN2O2/c16-7-1-4-12-10(5-7)13(20)14-18-11-3-2-8(17)6-9(11)15(21)19(12)14/h1-6H
InChIKeyHJETZUOXLCYVPZ-UHFFFAOYSA-N
XLogP3.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.58
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione?
The IUPAC name of 8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione (CID 86003970) is 8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione.
What is the SMILES notation for 8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione?
The canonical SMILES for 8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione is O=C1c2cc(Br)ccc2-n2c1nc1ccc(Cl)cc1c2=O.
What is the InChIKey of 8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione?
The InChIKey is HJETZUOXLCYVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6BrClN2O2/c16-7-1-4-12-10(5-7)13(20)14-18-11-3-2-8(17)6-9(11)15(21)19(12)14/h1-6H.
What are the key properties of 8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione?
8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione has a molecular weight of 361.58 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloroindolo[2,1-b]quinazoline-6,12-dione is sourced from PubChem (CID 86003970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).