1,3-dimethyl-2-selanylidenequinazolin-4-one

C10H10N2OSe — CID 102491232

IUPAC1,3-dimethyl-2-selanylidenequinazolin-4-one
SMILESCn1c(=O)c2ccccc2n(C)c1=[Se]
InChIInChI=1S/C10H10N2OSe/c1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14/h3-6H,1-2H3
InChIKeyDLRQTEZCVPFQMZ-UHFFFAOYSA-N
MW253.16 g/mol
LogP0.58
Rot. Bonds

About 1,3-dimethyl-2-selanylidenequinazolin-4-one

1,3-dimethyl-2-selanylidenequinazolin-4-one (PubChem CID 102491232) has the molecular formula C10H10N2OSe and a molecular weight of 253.16 g/mol. Its IUPAC name is 1,3-dimethyl-2-selanylidenequinazolin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-2-selanylidenequinazolin-4-one
PubChem CID102491232
Molecular FormulaC10H10N2OSe
Molecular Weight253.16 g/mol
Exact Mass254.00
IUPAC Name1,3-dimethyl-2-selanylidenequinazolin-4-one
SMILESCn1c(=O)c2ccccc2n(C)c1=[Se]
InChIInChI=1S/C10H10N2OSe/c1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14/h3-6H,1-2H3
InChIKeyDLRQTEZCVPFQMZ-UHFFFAOYSA-N
XLogP0.58
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-methylquinazoline-2,4-dione
CID 14937715
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
1-bromo-2-methylindazol-3-one
CID 140854699
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
6-methylbenzimidazolo[1,2-a]quinazolin-5-one
CID 59232444
3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
CID 75485502
ethane;4-hydroxy-1,3-dimethylquinolin-2-one
CID 91565927
3-(4-iodophenyl)-1-methylquinazoline-2,4-dione
CID 58915061

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-selanylidenequinazolin-4-one?
The IUPAC name of 1,3-dimethyl-2-selanylidenequinazolin-4-one (CID 102491232) is 1,3-dimethyl-2-selanylidenequinazolin-4-one.
What is the SMILES notation for 1,3-dimethyl-2-selanylidenequinazolin-4-one?
The canonical SMILES for 1,3-dimethyl-2-selanylidenequinazolin-4-one is Cn1c(=O)c2ccccc2n(C)c1=[Se].
What is the InChIKey of 1,3-dimethyl-2-selanylidenequinazolin-4-one?
The InChIKey is DLRQTEZCVPFQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OSe/c1-11-8-6-4-3-5-7(8)9(13)12(2)10(11)14/h3-6H,1-2H3.
What are the key properties of 1,3-dimethyl-2-selanylidenequinazolin-4-one?
1,3-dimethyl-2-selanylidenequinazolin-4-one has a molecular weight of 253.16 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-selanylidenequinazolin-4-one is sourced from PubChem (CID 102491232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).