N-(4-oxoquinazolin-6-ylidene)acetamide

C10H7N3O2 — CID 78168904

IUPACN-(4-oxoquinazolin-6-ylidene)acetamide
SMILESCC(=O)/N=C1\C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C10H7N3O2/c1-6(14)13-7-2-3-9-8(4-7)10(15)12-5-11-9/h2-5H,1H3/b13-7+
InChIKeySMZJMIKCGRTVDQ-NTUHNPAUSA-N
MW201.19 g/mol
LogP0.48
Rot. Bonds

About N-(4-oxoquinazolin-6-ylidene)acetamide

N-(4-oxoquinazolin-6-ylidene)acetamide (PubChem CID 78168904) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is N-(4-oxoquinazolin-6-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-oxoquinazolin-6-ylidene)acetamide
PubChem CID78168904
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC NameN-(4-oxoquinazolin-6-ylidene)acetamide
SMILESCC(=O)/N=C1\C=CC2=NC=NC(=O)C2=C1
InChIInChI=1S/C10H7N3O2/c1-6(14)13-7-2-3-9-8(4-7)10(15)12-5-11-9/h2-5H,1H3/b13-7+
InChIKeySMZJMIKCGRTVDQ-NTUHNPAUSA-N
XLogP0.48
TPSA71.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-6H-quinazolin-4-one
CID 90958016
Pyrazolo[4,3-f]quinazolin-9-one
CID 129732351
2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-fluoro-6H-pyrido[3,4-d]pyrimidin-4-one
CID 71303963
6-fluoro-6H-quinazolin-4-one
CID 71303964
6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
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
Pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione
CID 67548329
Pyrido[4,3-g]quinazoline-4,9-dione
CID 68415096
4-methyl-6H-pyrido[2,3-d]pyrimidin-7-one
CID 69596925

Frequently Asked Questions

What is the IUPAC name of N-(4-oxoquinazolin-6-ylidene)acetamide?
The IUPAC name of N-(4-oxoquinazolin-6-ylidene)acetamide (CID 78168904) is N-(4-oxoquinazolin-6-ylidene)acetamide.
What is the SMILES notation for N-(4-oxoquinazolin-6-ylidene)acetamide?
The canonical SMILES for N-(4-oxoquinazolin-6-ylidene)acetamide is CC(=O)/N=C1\C=CC2=NC=NC(=O)C2=C1.
What is the InChIKey of N-(4-oxoquinazolin-6-ylidene)acetamide?
The InChIKey is SMZJMIKCGRTVDQ-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H7N3O2/c1-6(14)13-7-2-3-9-8(4-7)10(15)12-5-11-9/h2-5H,1H3/b13-7+.
What are the key properties of N-(4-oxoquinazolin-6-ylidene)acetamide?
N-(4-oxoquinazolin-6-ylidene)acetamide has a molecular weight of 201.19 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxoquinazolin-6-ylidene)acetamide is sourced from PubChem (CID 78168904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).