amino carbamate;1H-quinazolin-2-one

C9H10N4O3 — CID 174813406

IUPACamino carbamate;1H-quinazolin-2-one
SMILESNOC(N)=O.O=c1ncc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O.CH4N2O2/c11-8-9-5-6-3-1-2-4-7(6)10-8;2-1(4)5-3/h1-5H,(H,9,10,11);3H2,(H2,2,4)
InChIKeyAIAADRIRJMUYBS-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.12
Rot. Bonds

About amino carbamate;1H-quinazolin-2-one

amino carbamate;1H-quinazolin-2-one (PubChem CID 174813406) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is amino carbamate;1H-quinazolin-2-one.

Molecular Properties

Compound Nameamino carbamate;1H-quinazolin-2-one
PubChem CID174813406
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Nameamino carbamate;1H-quinazolin-2-one
SMILESNOC(N)=O.O=c1ncc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O.CH4N2O2/c11-8-9-5-6-3-1-2-4-7(6)10-8;2-1(4)5-3/h1-5H,(H,9,10,11);3H2,(H2,2,4)
InChIKeyAIAADRIRJMUYBS-UHFFFAOYSA-N
XLogP-0.12
TPSA124.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino carbamate;1H-quinazolin-2-one?
The IUPAC name of amino carbamate;1H-quinazolin-2-one (CID 174813406) is amino carbamate;1H-quinazolin-2-one.
What is the SMILES notation for amino carbamate;1H-quinazolin-2-one?
The canonical SMILES for amino carbamate;1H-quinazolin-2-one is NOC(N)=O.O=c1ncc2ccccc2[nH]1.
What is the InChIKey of amino carbamate;1H-quinazolin-2-one?
The InChIKey is AIAADRIRJMUYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.CH4N2O2/c11-8-9-5-6-3-1-2-4-7(6)10-8;2-1(4)5-3/h1-5H,(H,9,10,11);3H2,(H2,2,4).
What are the key properties of amino carbamate;1H-quinazolin-2-one?
amino carbamate;1H-quinazolin-2-one has a molecular weight of 222.20 g/mol, XLogP of -0.12, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino carbamate;1H-quinazolin-2-one is sourced from PubChem (CID 174813406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).