argon;3-methyl-2H-quinazoline

C9H10Ar11N2 — CID 174559439

IUPACargon;3-methyl-2H-quinazoline
SMILESCN1C=c2ccccc2=NC1.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C9H10N2.11Ar/c1-11-6-8-4-2-3-5-9(8)10-7-11;;;;;;;;;;;/h2-6H,7H2,1H3;;;;;;;;;;;
InChIKeyIRPKFJLTDKICQI-UHFFFAOYSA-N
MW585.62 g/mol
LogP-0.05
Rot. Bonds

About argon;3-methyl-2H-quinazoline

argon;3-methyl-2H-quinazoline (PubChem CID 174559439) has the molecular formula C9H10Ar11N2 and a molecular weight of 585.62 g/mol. Its IUPAC name is argon;3-methyl-2H-quinazoline.

Molecular Properties

Compound Nameargon;3-methyl-2H-quinazoline
PubChem CID174559439
Molecular FormulaC9H10Ar11N2
Molecular Weight585.62 g/mol
Exact Mass585.67
IUPAC Nameargon;3-methyl-2H-quinazoline
SMILESCN1C=c2ccccc2=NC1.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar]
InChIInChI=1S/C9H10N2.11Ar/c1-11-6-8-4-2-3-5-9(8)10-7-11;;;;;;;;;;;/h2-6H,7H2,1H3;;;;;;;;;;;
InChIKeyIRPKFJLTDKICQI-UHFFFAOYSA-N
XLogP-0.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.62
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of argon;3-methyl-2H-quinazoline?
The IUPAC name of argon;3-methyl-2H-quinazoline (CID 174559439) is argon;3-methyl-2H-quinazoline.
What is the SMILES notation for argon;3-methyl-2H-quinazoline?
The canonical SMILES for argon;3-methyl-2H-quinazoline is CN1C=c2ccccc2=NC1.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].
What is the InChIKey of argon;3-methyl-2H-quinazoline?
The InChIKey is IRPKFJLTDKICQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.11Ar/c1-11-6-8-4-2-3-5-9(8)10-7-11;;;;;;;;;;;/h2-6H,7H2,1H3;;;;;;;;;;;.
What are the key properties of argon;3-methyl-2H-quinazoline?
argon;3-methyl-2H-quinazoline has a molecular weight of 585.62 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for argon;3-methyl-2H-quinazoline is sourced from PubChem (CID 174559439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).