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

C8H9N3O — CID 57415921

IUPAC7-amino-3,4-dihydro-1H-quinazolin-2-one
SMILESNc1ccc2c(c1)NC(=O)NC2
InChIInChI=1S/C8H9N3O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-3H,4,9H2,(H2,10,11,12)
InChIKeyQKIGVMPBZNAVLT-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.90
Rot. Bonds

About 7-amino-3,4-dihydro-1H-quinazolin-2-one

7-amino-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 57415921) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 7-amino-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-amino-3,4-dihydro-1H-quinazolin-2-one
PubChem CID57415921
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name7-amino-3,4-dihydro-1H-quinazolin-2-one
SMILESNc1ccc2c(c1)NC(=O)NC2
InChIInChI=1S/C8H9N3O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-3H,4,9H2,(H2,10,11,12)
InChIKeyQKIGVMPBZNAVLT-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 7-amino-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 7-amino-3,4-dihydro-1H-quinazolin-2-one (CID 57415921) is 7-amino-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 7-amino-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 7-amino-3,4-dihydro-1H-quinazolin-2-one is Nc1ccc2c(c1)NC(=O)NC2.
What is the InChIKey of 7-amino-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is QKIGVMPBZNAVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-6-2-1-5-4-10-8(12)11-7(5)3-6/h1-3H,4,9H2,(H2,10,11,12).
What are the key properties of 7-amino-3,4-dihydro-1H-quinazolin-2-one?
7-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 7-amino-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 57415921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).