4-oxo-2,3-dihydroquinazoline-1-carboxamide

C9H9N3O2 — CID 23023743

IUPAC4-oxo-2,3-dihydroquinazoline-1-carboxamide
SMILESNC(=O)N1CNC(=O)c2ccccc21
InChIInChI=1S/C9H9N3O2/c10-9(14)12-5-11-8(13)6-3-1-2-4-7(6)12/h1-4H,5H2,(H2,10,14)(H,11,13)
InChIKeyZVANNKPUXCCDDF-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.27
Rot. Bonds

About 4-oxo-2,3-dihydroquinazoline-1-carboxamide

4-oxo-2,3-dihydroquinazoline-1-carboxamide (PubChem CID 23023743) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-oxo-2,3-dihydroquinazoline-1-carboxamide.

Molecular Properties

Compound Name4-oxo-2,3-dihydroquinazoline-1-carboxamide
PubChem CID23023743
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name4-oxo-2,3-dihydroquinazoline-1-carboxamide
SMILESNC(=O)N1CNC(=O)c2ccccc21
InChIInChI=1S/C9H9N3O2/c10-9(14)12-5-11-8(13)6-3-1-2-4-7(6)12/h1-4H,5H2,(H2,10,14)(H,11,13)
InChIKeyZVANNKPUXCCDDF-UHFFFAOYSA-N
XLogP0.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,3-dihydroquinazoline-1-carboxamide?
The IUPAC name of 4-oxo-2,3-dihydroquinazoline-1-carboxamide (CID 23023743) is 4-oxo-2,3-dihydroquinazoline-1-carboxamide.
What is the SMILES notation for 4-oxo-2,3-dihydroquinazoline-1-carboxamide?
The canonical SMILES for 4-oxo-2,3-dihydroquinazoline-1-carboxamide is NC(=O)N1CNC(=O)c2ccccc21.
What is the InChIKey of 4-oxo-2,3-dihydroquinazoline-1-carboxamide?
The InChIKey is ZVANNKPUXCCDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-9(14)12-5-11-8(13)6-3-1-2-4-7(6)12/h1-4H,5H2,(H2,10,14)(H,11,13).
What are the key properties of 4-oxo-2,3-dihydroquinazoline-1-carboxamide?
4-oxo-2,3-dihydroquinazoline-1-carboxamide has a molecular weight of 191.19 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,3-dihydroquinazoline-1-carboxamide is sourced from PubChem (CID 23023743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).