1,8-dimethyl-8aH-quinazoline

C10H12N2 — CID 149269224

IUPAC1,8-dimethyl-8aH-quinazoline
SMILESCC1=CC=CC2=CN=CN(C)C12
InChIInChI=1S/C10H12N2/c1-8-4-3-5-9-6-11-7-12(2)10(8)9/h3-7,10H,1-2H3
InChIKeyXQSTUAIHNHKPRI-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.73
Rot. Bonds

About 1,8-dimethyl-8aH-quinazoline

1,8-dimethyl-8aH-quinazoline (PubChem CID 149269224) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,8-dimethyl-8aH-quinazoline.

Molecular Properties

Compound Name1,8-dimethyl-8aH-quinazoline
PubChem CID149269224
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,8-dimethyl-8aH-quinazoline
SMILESCC1=CC=CC2=CN=CN(C)C12
InChIInChI=1S/C10H12N2/c1-8-4-3-5-9-6-11-7-12(2)10(8)9/h3-7,10H,1-2H3
InChIKeyXQSTUAIHNHKPRI-UHFFFAOYSA-N
XLogP1.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-8aH-quinazoline?
The IUPAC name of 1,8-dimethyl-8aH-quinazoline (CID 149269224) is 1,8-dimethyl-8aH-quinazoline.
What is the SMILES notation for 1,8-dimethyl-8aH-quinazoline?
The canonical SMILES for 1,8-dimethyl-8aH-quinazoline is CC1=CC=CC2=CN=CN(C)C12.
What is the InChIKey of 1,8-dimethyl-8aH-quinazoline?
The InChIKey is XQSTUAIHNHKPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-4-3-5-9-6-11-7-12(2)10(8)9/h3-7,10H,1-2H3.
What are the key properties of 1,8-dimethyl-8aH-quinazoline?
1,8-dimethyl-8aH-quinazoline has a molecular weight of 160.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-8aH-quinazoline is sourced from PubChem (CID 149269224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).