4-oxo-6H-quinazoline-6-carboxamide

C9H7N3O2 — CID 85144735

IUPAC4-oxo-6H-quinazoline-6-carboxamide
SMILESNC(=O)C1C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C9H7N3O2/c10-8(13)5-1-2-7-6(3-5)9(14)12-4-11-7/h1-5H,(H2,10,13)
InChIKeyAGFXMCDZDUXXJG-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.41
Rot. Bonds1

About 4-oxo-6H-quinazoline-6-carboxamide

4-oxo-6H-quinazoline-6-carboxamide (PubChem CID 85144735) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-oxo-6H-quinazoline-6-carboxamide.

Molecular Properties

Compound Name4-oxo-6H-quinazoline-6-carboxamide
PubChem CID85144735
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-oxo-6H-quinazoline-6-carboxamide
SMILESNC(=O)C1C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C9H7N3O2/c10-8(13)5-1-2-7-6(3-5)9(14)12-4-11-7/h1-5H,(H2,10,13)
InChIKeyAGFXMCDZDUXXJG-UHFFFAOYSA-N
XLogP-0.41
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6H-quinazolin-4-one
CID 90958016
6-fluoro-6H-quinazolin-4-one
CID 71303964
5,6-difluoro-6H-quinazolin-4-one
CID 78166508
Pyrimido[4,5-g]quinazoline-4,9-dione
CID 20244493
Quinazoline-4,6-dione
CID 54272177
Pyrido[4,3-g]quinazoline-4,9-dione
CID 68415096
Cyclopenta[g]quinazolin-4-one
CID 160715150
6H-quinazolin-4-one
CID 165178648
6,6-Dimethylquinazolin-4-one
CID 174482087
3-oxido-6H-quinazolin-3-ium-4-one
CID 21530174
4-oxo-6H-quinazoline-6-carboxylic acid
CID 71303409
6-amino-6H-quinazolin-4-one
CID 71303901

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6H-quinazoline-6-carboxamide?
The IUPAC name of 4-oxo-6H-quinazoline-6-carboxamide (CID 85144735) is 4-oxo-6H-quinazoline-6-carboxamide.
What is the SMILES notation for 4-oxo-6H-quinazoline-6-carboxamide?
The canonical SMILES for 4-oxo-6H-quinazoline-6-carboxamide is NC(=O)C1C=CC2=NC=NC(=O)C2=C1.
What is the InChIKey of 4-oxo-6H-quinazoline-6-carboxamide?
The InChIKey is AGFXMCDZDUXXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c10-8(13)5-1-2-7-6(3-5)9(14)12-4-11-7/h1-5H,(H2,10,13).
What are the key properties of 4-oxo-6H-quinazoline-6-carboxamide?
4-oxo-6H-quinazoline-6-carboxamide has a molecular weight of 189.17 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6H-quinazoline-6-carboxamide is sourced from PubChem (CID 85144735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).