8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one

C15H8BrClN2O — CID 169263748

IUPAC8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccc(Cl)cc2nc2n1-c1ccc(Br)cc1C2
InChIInChI=1S/C15H8BrClN2O/c16-9-1-4-13-8(5-9)6-14-18-12-7-10(17)2-3-11(12)15(20)19(13)14/h1-5,7H,6H2
InChIKeyPBEYDQRXMIQBFU-UHFFFAOYSA-N
MW347.60 g/mol
LogP3.71
Rot. Bonds

About 8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one

8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one (PubChem CID 169263748) has the molecular formula C15H8BrClN2O and a molecular weight of 347.60 g/mol. Its IUPAC name is 8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one
PubChem CID169263748
Molecular FormulaC15H8BrClN2O
Molecular Weight347.60 g/mol
Exact Mass345.95
IUPAC Name8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one
SMILESO=c1c2ccc(Cl)cc2nc2n1-c1ccc(Br)cc1C2
InChIInChI=1S/C15H8BrClN2O/c16-9-1-4-13-8(5-9)6-14-18-12-7-10(17)2-3-11(12)15(20)19(13)14/h1-5,7H,6H2
InChIKeyPBEYDQRXMIQBFU-UHFFFAOYSA-N
XLogP3.71
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.60
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one?
The IUPAC name of 8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one (CID 169263748) is 8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one.
What is the SMILES notation for 8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one?
The canonical SMILES for 8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one is O=c1c2ccc(Cl)cc2nc2n1-c1ccc(Br)cc1C2.
What is the InChIKey of 8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one?
The InChIKey is PBEYDQRXMIQBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClN2O/c16-9-1-4-13-8(5-9)6-14-18-12-7-10(17)2-3-11(12)15(20)19(13)14/h1-5,7H,6H2.
What are the key properties of 8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one?
8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one has a molecular weight of 347.60 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-chloro-6H-indolo[2,1-b]quinazolin-12-one is sourced from PubChem (CID 169263748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).