5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium

C11H11IN2O2V — CID 158117110

IUPAC5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium
SMILESC=[V].Cc1cc2[nH]c(=O)[nH]c(=O)c2c(I)c1C
InChIInChI=1S/C10H9IN2O2.CH2.V/c1-4-3-6-7(8(11)5(4)2)9(14)13-10(15)12-6;;/h3H,1-2H3,(H2,12,13,14,15);1H2;
InChIKeyVKPPWQGVYHFICY-UHFFFAOYSA-N
MW381.07 g/mol
LogP1.40
Rot. Bonds

About 5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium

5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium (PubChem CID 158117110) has the molecular formula C11H11IN2O2V and a molecular weight of 381.07 g/mol. Its IUPAC name is 5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium.

Molecular Properties

Compound Name5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium
PubChem CID158117110
Molecular FormulaC11H11IN2O2V
Molecular Weight381.07 g/mol
Exact Mass380.93
IUPAC Name5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium
SMILESC=[V].Cc1cc2[nH]c(=O)[nH]c(=O)c2c(I)c1C
InChIInChI=1S/C10H9IN2O2.CH2.V/c1-4-3-6-7(8(11)5(4)2)9(14)13-10(15)12-6;;/h3H,1-2H3,(H2,12,13,14,15);1H2;
InChIKeyVKPPWQGVYHFICY-UHFFFAOYSA-N
XLogP1.40
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.07
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium?
The IUPAC name of 5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium (CID 158117110) is 5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium.
What is the SMILES notation for 5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium?
The canonical SMILES for 5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium is C=[V].Cc1cc2[nH]c(=O)[nH]c(=O)c2c(I)c1C.
What is the InChIKey of 5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium?
The InChIKey is VKPPWQGVYHFICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2.CH2.V/c1-4-3-6-7(8(11)5(4)2)9(14)13-10(15)12-6;;/h3H,1-2H3,(H2,12,13,14,15);1H2;.
What are the key properties of 5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium?
5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium has a molecular weight of 381.07 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6,7-dimethyl-1H-quinazoline-2,4-dione;methylidenevanadium is sourced from PubChem (CID 158117110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).