7-chloro-6H-quinazolin-4-one

C8H5ClN2O — CID 91371041

IUPAC7-chloro-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(Cl)CC=C12
InChIInChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h2-4H,1H2
InChIKeyHISMSQYDPUSJLD-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.45
Rot. Bonds

About 7-chloro-6H-quinazolin-4-one

7-chloro-6H-quinazolin-4-one (PubChem CID 91371041) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 7-chloro-6H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-6H-quinazolin-4-one
PubChem CID91371041
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name7-chloro-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(Cl)CC=C12
InChIInChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h2-4H,1H2
InChIKeyHISMSQYDPUSJLD-UHFFFAOYSA-N
XLogP1.45
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-6H-quinazolin-4-one
CID 90958016
2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-fluoro-6H-quinazolin-4-one
CID 71303964
5,6-difluoro-6H-quinazolin-4-one
CID 78166508
Pyrimido[4,5-g]quinazoline-4,9-dione
CID 20244493
Quinazoline-4,6-dione
CID 54272177
7-bromo-6H-quinazolin-4-one
CID 91025472
6-chloro-8H-quinazolin-4-one
CID 91196558
Cyclopenta[g]quinazolin-4-one
CID 160715150
6H-quinazolin-4-one
CID 165178648
6,6-Dimethylquinazolin-4-one
CID 174482087
3-oxido-6H-quinazolin-3-ium-4-one
CID 21530174

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6H-quinazolin-4-one?
The IUPAC name of 7-chloro-6H-quinazolin-4-one (CID 91371041) is 7-chloro-6H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-6H-quinazolin-4-one?
The canonical SMILES for 7-chloro-6H-quinazolin-4-one is O=C1N=CN=C2C=C(Cl)CC=C12.
What is the InChIKey of 7-chloro-6H-quinazolin-4-one?
The InChIKey is HISMSQYDPUSJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h2-4H,1H2.
What are the key properties of 7-chloro-6H-quinazolin-4-one?
7-chloro-6H-quinazolin-4-one has a molecular weight of 180.59 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6H-quinazolin-4-one is sourced from PubChem (CID 91371041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).