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

C8H9N3O — CID 5200220

IUPAC2-amino-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1ncc2c(n1)CCCC2=O
InChIInChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11)
InChIKeyZXWJMLMXKMSYTP-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.58
Rot. Bonds

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

2-amino-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 5200220) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-amino-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-amino-7,8-dihydro-6H-quinazolin-5-one
PubChem CID5200220
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-amino-7,8-dihydro-6H-quinazolin-5-one
SMILESNc1ncc2c(n1)CCCC2=O
InChIInChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11)
InChIKeyZXWJMLMXKMSYTP-UHFFFAOYSA-N
XLogP0.58
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-amino-7,8-dihydro-6H-quinazolin-5-one (CID 5200220) is 2-amino-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-amino-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-amino-7,8-dihydro-6H-quinazolin-5-one is Nc1ncc2c(n1)CCCC2=O.
What is the InChIKey of 2-amino-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is ZXWJMLMXKMSYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-8-10-4-5-6(11-8)2-1-3-7(5)12/h4H,1-3H2,(H2,9,10,11).
What are the key properties of 2-amino-7,8-dihydro-6H-quinazolin-5-one?
2-amino-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 163.18 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 5200220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).