2-amino-6-methylidenequinazolin-4-one

C9H7N3O — CID 76844596

IUPAC2-amino-6-methylidenequinazolin-4-one
SMILESC=c1ccc2c(c1)C(=O)N=C(N)N=2
InChIInChI=1S/C9H7N3O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H2,(H2,10,12,13)
InChIKeySFSCSHBICZXASN-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.81
Rot. Bonds

About 2-amino-6-methylidenequinazolin-4-one

2-amino-6-methylidenequinazolin-4-one (PubChem CID 76844596) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-amino-6-methylidenequinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-methylidenequinazolin-4-one
PubChem CID76844596
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name2-amino-6-methylidenequinazolin-4-one
SMILESC=c1ccc2c(c1)C(=O)N=C(N)N=2
InChIInChI=1S/C9H7N3O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H2,(H2,10,12,13)
InChIKeySFSCSHBICZXASN-UHFFFAOYSA-N
XLogP-0.81
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Oxoazacarbazole
CID 17964968
Pyrrolo[2,3-b]quinolone
CID 19975663
Cyclopenta[c]quinolin-4-one
CID 20502643
5-Aminocarbonyl benzimidazolone
CID 125415327
7-fluoro-6H-quinazolin-4-one
CID 90958016
Azepino[2,3-b]quinolone
CID 129789510
2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-fluoro-6H-quinazolin-4-one
CID 71303964
6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
8-fluoro-8H-quinazolin-4-one
CID 76845720
Cyclopenta[d]pyrimidin-4-one
CID 18919296
2-amino-7-propan-2-yl-4aH-benzo[g]quinazolin-4-one
CID 58528111

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylidenequinazolin-4-one?
The IUPAC name of 2-amino-6-methylidenequinazolin-4-one (CID 76844596) is 2-amino-6-methylidenequinazolin-4-one.
What is the SMILES notation for 2-amino-6-methylidenequinazolin-4-one?
The canonical SMILES for 2-amino-6-methylidenequinazolin-4-one is C=c1ccc2c(c1)C(=O)N=C(N)N=2.
What is the InChIKey of 2-amino-6-methylidenequinazolin-4-one?
The InChIKey is SFSCSHBICZXASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H2,(H2,10,12,13).
What are the key properties of 2-amino-6-methylidenequinazolin-4-one?
2-amino-6-methylidenequinazolin-4-one has a molecular weight of 173.17 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylidenequinazolin-4-one is sourced from PubChem (CID 76844596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).