8a-methyl-4aH-quinazoline

C9H10N2 — CID 70236079

IUPAC8a-methyl-4aH-quinazoline
SMILESCC12C=CC=CC1C=NC=N2
InChIInChI=1S/C9H10N2/c1-9-5-3-2-4-8(9)6-10-7-11-9/h2-8H,1H3
InChIKeyMYBJCXVDSSPQDF-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.60
Rot. Bonds

About 8a-methyl-4aH-quinazoline

8a-methyl-4aH-quinazoline (PubChem CID 70236079) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 8a-methyl-4aH-quinazoline.

Molecular Properties

Compound Name8a-methyl-4aH-quinazoline
PubChem CID70236079
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name8a-methyl-4aH-quinazoline
SMILESCC12C=CC=CC1C=NC=N2
InChIInChI=1S/C9H10N2/c1-9-5-3-2-4-8(9)6-10-7-11-9/h2-8H,1H3
InChIKeyMYBJCXVDSSPQDF-UHFFFAOYSA-N
XLogP1.60
TPSA24.72 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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-4aH-quinazoline?
The IUPAC name of 8a-methyl-4aH-quinazoline (CID 70236079) is 8a-methyl-4aH-quinazoline.
What is the SMILES notation for 8a-methyl-4aH-quinazoline?
The canonical SMILES for 8a-methyl-4aH-quinazoline is CC12C=CC=CC1C=NC=N2.
What is the InChIKey of 8a-methyl-4aH-quinazoline?
The InChIKey is MYBJCXVDSSPQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-9-5-3-2-4-8(9)6-10-7-11-9/h2-8H,1H3.
What are the key properties of 8a-methyl-4aH-quinazoline?
8a-methyl-4aH-quinazoline has a molecular weight of 146.19 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-4aH-quinazoline is sourced from PubChem (CID 70236079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).