6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one

C15H9ClN2O — CID 919306

IUPAC6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one
SMILESO=c1c2cccc(Cl)c2nc2n1Cc1ccccc1-2
InChIInChI=1S/C15H9ClN2O/c16-12-7-3-6-11-13(12)17-14-10-5-2-1-4-9(10)8-18(14)15(11)19/h1-7H,8H2
InChIKeyHROPZYQYIOPHNL-UHFFFAOYSA-N
MW268.70 g/mol
LogP3.08
Rot. Bonds

About 6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one

6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one (PubChem CID 919306) has the molecular formula C15H9ClN2O and a molecular weight of 268.70 g/mol. Its IUPAC name is 6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one.

Molecular Properties

Compound Name6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one
PubChem CID919306
Molecular FormulaC15H9ClN2O
Molecular Weight268.70 g/mol
Exact Mass268.04
IUPAC Name6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one
SMILESO=c1c2cccc(Cl)c2nc2n1Cc1ccccc1-2
InChIInChI=1S/C15H9ClN2O/c16-12-7-3-6-11-13(12)17-14-10-5-2-1-4-9(10)8-18(14)15(11)19/h1-7H,8H2
InChIKeyHROPZYQYIOPHNL-UHFFFAOYSA-N
XLogP3.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one?
The IUPAC name of 6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one (CID 919306) is 6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one.
What is the SMILES notation for 6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one?
The canonical SMILES for 6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one is O=c1c2cccc(Cl)c2nc2n1Cc1ccccc1-2.
What is the InChIKey of 6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one?
The InChIKey is HROPZYQYIOPHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O/c16-12-7-3-6-11-13(12)17-14-10-5-2-1-4-9(10)8-18(14)15(11)19/h1-7H,8H2.
What are the key properties of 6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one?
6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one has a molecular weight of 268.70 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-12H-isoindolo[1,2-b]quinazolin-10-one is sourced from PubChem (CID 919306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).