1-methyl-4H-quinazolin-4-ol

C9H10N2O — CID 45088716

IUPAC1-methyl-4H-quinazolin-4-ol
SMILESCN1C=NC(O)c2ccccc21
InChIInChI=1S/C9H10N2O/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6,9,12H,1H3
InChIKeyALSOPSFXZCSFRW-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.16
Rot. Bonds

About 1-methyl-4H-quinazolin-4-ol

1-methyl-4H-quinazolin-4-ol (PubChem CID 45088716) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-methyl-4H-quinazolin-4-ol.

Molecular Properties

Compound Name1-methyl-4H-quinazolin-4-ol
PubChem CID45088716
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-methyl-4H-quinazolin-4-ol
SMILESCN1C=NC(O)c2ccccc21
InChIInChI=1S/C9H10N2O/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6,9,12H,1H3
InChIKeyALSOPSFXZCSFRW-UHFFFAOYSA-N
XLogP1.16
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-quinazolin-4-ol?
The IUPAC name of 1-methyl-4H-quinazolin-4-ol (CID 45088716) is 1-methyl-4H-quinazolin-4-ol.
What is the SMILES notation for 1-methyl-4H-quinazolin-4-ol?
The canonical SMILES for 1-methyl-4H-quinazolin-4-ol is CN1C=NC(O)c2ccccc21.
What is the InChIKey of 1-methyl-4H-quinazolin-4-ol?
The InChIKey is ALSOPSFXZCSFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-11-6-10-9(12)7-4-2-3-5-8(7)11/h2-6,9,12H,1H3.
What are the key properties of 1-methyl-4H-quinazolin-4-ol?
1-methyl-4H-quinazolin-4-ol has a molecular weight of 162.19 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-quinazolin-4-ol is sourced from PubChem (CID 45088716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).