6-amino-3,4-dihydro-1H-quinazolin-2-one

C8H9N3O — CID 68724158

IUPAC6-amino-3,4-dihydro-1H-quinazolin-2-one
SMILESNc1ccc2c(c1)CNC(=O)N2
InChIInChI=1S/C8H9N3O/c9-6-1-2-7-5(3-6)4-10-8(12)11-7/h1-3H,4,9H2,(H2,10,11,12)
InChIKeyFVCPNPIBDUQHQJ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.90
Rot. Bonds

About 6-amino-3,4-dihydro-1H-quinazolin-2-one

6-amino-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 68724158) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-amino-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-amino-3,4-dihydro-1H-quinazolin-2-one
PubChem CID68724158
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name6-amino-3,4-dihydro-1H-quinazolin-2-one
SMILESNc1ccc2c(c1)CNC(=O)N2
InChIInChI=1S/C8H9N3O/c9-6-1-2-7-5(3-6)4-10-8(12)11-7/h1-3H,4,9H2,(H2,10,11,12)
InChIKeyFVCPNPIBDUQHQJ-UHFFFAOYSA-N
XLogP0.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 6-amino-3,4-dihydro-1H-quinazolin-2-one (CID 68724158) is 6-amino-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 6-amino-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 6-amino-3,4-dihydro-1H-quinazolin-2-one is Nc1ccc2c(c1)CNC(=O)N2.
What is the InChIKey of 6-amino-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is FVCPNPIBDUQHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-6-1-2-7-5(3-6)4-10-8(12)11-7/h1-3H,4,9H2,(H2,10,11,12).
What are the key properties of 6-amino-3,4-dihydro-1H-quinazolin-2-one?
6-amino-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.90, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 68724158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).