3-methyl-4H-quinazoline

C9H10N2 — CID 5324696

IUPAC3-methyl-4H-quinazoline
SMILESCN1C=Nc2ccccc2C1
InChIInChI=1S/C9H10N2/c1-11-6-8-4-2-3-5-9(8)10-7-11/h2-5,7H,6H2,1H3
InChIKeyVAUUKUSVLIDODG-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.79
Rot. Bonds

About 3-methyl-4H-quinazoline

3-methyl-4H-quinazoline (PubChem CID 5324696) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methyl-4H-quinazoline.

Molecular Properties

Compound Name3-methyl-4H-quinazoline
PubChem CID5324696
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-methyl-4H-quinazoline
SMILESCN1C=Nc2ccccc2C1
InChIInChI=1S/C9H10N2/c1-11-6-8-4-2-3-5-9(8)10-7-11/h2-5,7H,6H2,1H3
InChIKeyVAUUKUSVLIDODG-UHFFFAOYSA-N
XLogP1.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-quinazoline?
The IUPAC name of 3-methyl-4H-quinazoline (CID 5324696) is 3-methyl-4H-quinazoline.
What is the SMILES notation for 3-methyl-4H-quinazoline?
The canonical SMILES for 3-methyl-4H-quinazoline is CN1C=Nc2ccccc2C1.
What is the InChIKey of 3-methyl-4H-quinazoline?
The InChIKey is VAUUKUSVLIDODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-11-6-8-4-2-3-5-9(8)10-7-11/h2-5,7H,6H2,1H3.
What are the key properties of 3-methyl-4H-quinazoline?
3-methyl-4H-quinazoline has a molecular weight of 146.19 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-quinazoline is sourced from PubChem (CID 5324696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).