2-methylbenzo[h]quinazoline

C13H10N2 — CID 15811350

IUPAC2-methylbenzo[h]quinazoline
SMILESCc1ncc2ccc3ccccc3c2n1
InChIInChI=1S/C13H10N2/c1-9-14-8-11-7-6-10-4-2-3-5-12(10)13(11)15-9/h2-8H,1H3
InChIKeyALSKGVKSFDACLC-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.09
Rot. Bonds

About 2-methylbenzo[h]quinazoline

2-methylbenzo[h]quinazoline (PubChem CID 15811350) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-methylbenzo[h]quinazoline.

Molecular Properties

Compound Name2-methylbenzo[h]quinazoline
PubChem CID15811350
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2-methylbenzo[h]quinazoline
SMILESCc1ncc2ccc3ccccc3c2n1
InChIInChI=1S/C13H10N2/c1-9-14-8-11-7-6-10-4-2-3-5-12(10)13(11)15-9/h2-8H,1H3
InChIKeyALSKGVKSFDACLC-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzo[h]quinazoline?
The IUPAC name of 2-methylbenzo[h]quinazoline (CID 15811350) is 2-methylbenzo[h]quinazoline.
What is the SMILES notation for 2-methylbenzo[h]quinazoline?
The canonical SMILES for 2-methylbenzo[h]quinazoline is Cc1ncc2ccc3ccccc3c2n1.
What is the InChIKey of 2-methylbenzo[h]quinazoline?
The InChIKey is ALSKGVKSFDACLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-9-14-8-11-7-6-10-4-2-3-5-12(10)13(11)15-9/h2-8H,1H3.
What are the key properties of 2-methylbenzo[h]quinazoline?
2-methylbenzo[h]quinazoline has a molecular weight of 194.24 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzo[h]quinazoline is sourced from PubChem (CID 15811350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).