6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol

C9H9FN2O — CID 171384712

IUPAC6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol
SMILESCC1=NC(O)c2cc(F)ccc2N1
InChIInChI=1S/C9H9FN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4,9,13H,1H3,(H,11,12)
InChIKeyJXEWYZSMWABVMN-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.66
Rot. Bonds

About 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol

6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol (PubChem CID 171384712) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol.

Molecular Properties

Compound Name6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol
PubChem CID171384712
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol
SMILESCC1=NC(O)c2cc(F)ccc2N1
InChIInChI=1S/C9H9FN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4,9,13H,1H3,(H,11,12)
InChIKeyJXEWYZSMWABVMN-UHFFFAOYSA-N
XLogP1.66
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol?
The IUPAC name of 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol (CID 171384712) is 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol.
What is the SMILES notation for 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol?
The canonical SMILES for 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol is CC1=NC(O)c2cc(F)ccc2N1.
What is the InChIKey of 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol?
The InChIKey is JXEWYZSMWABVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4,9,13H,1H3,(H,11,12).
What are the key properties of 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol?
6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol has a molecular weight of 180.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1,4-dihydroquinazolin-4-ol is sourced from PubChem (CID 171384712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).