2-chloro-6,7-dihydro-5H-quinazolin-8-one

C8H7ClN2O — CID 59558679

IUPAC2-chloro-6,7-dihydro-5H-quinazolin-8-one
SMILESO=C1CCCc2cnc(Cl)nc21
InChIInChI=1S/C8H7ClN2O/c9-8-10-4-5-2-1-3-6(12)7(5)11-8/h4H,1-3H2
InChIKeyUXXAEOQTOHCKGT-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.65
Rot. Bonds

About 2-chloro-6,7-dihydro-5H-quinazolin-8-one

2-chloro-6,7-dihydro-5H-quinazolin-8-one (PubChem CID 59558679) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-quinazolin-8-one.

Molecular Properties

Compound Name2-chloro-6,7-dihydro-5H-quinazolin-8-one
PubChem CID59558679
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name2-chloro-6,7-dihydro-5H-quinazolin-8-one
SMILESO=C1CCCc2cnc(Cl)nc21
InChIInChI=1S/C8H7ClN2O/c9-8-10-4-5-2-1-3-6(12)7(5)11-8/h4H,1-3H2
InChIKeyUXXAEOQTOHCKGT-UHFFFAOYSA-N
XLogP1.65
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dihydro-5H-quinazolin-8-one?
The IUPAC name of 2-chloro-6,7-dihydro-5H-quinazolin-8-one (CID 59558679) is 2-chloro-6,7-dihydro-5H-quinazolin-8-one.
What is the SMILES notation for 2-chloro-6,7-dihydro-5H-quinazolin-8-one?
The canonical SMILES for 2-chloro-6,7-dihydro-5H-quinazolin-8-one is O=C1CCCc2cnc(Cl)nc21.
What is the InChIKey of 2-chloro-6,7-dihydro-5H-quinazolin-8-one?
The InChIKey is UXXAEOQTOHCKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-8-10-4-5-2-1-3-6(12)7(5)11-8/h4H,1-3H2.
What are the key properties of 2-chloro-6,7-dihydro-5H-quinazolin-8-one?
2-chloro-6,7-dihydro-5H-quinazolin-8-one has a molecular weight of 182.61 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dihydro-5H-quinazolin-8-one is sourced from PubChem (CID 59558679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).