6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one

C9H9FN2O2 — CID 90750655

IUPAC6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cc2c(cc1F)C(=O)NC(O)N2
InChIInChI=1S/C9H9FN2O2/c1-4-2-7-5(3-6(4)10)8(13)12-9(14)11-7/h2-3,9,11,14H,1H3,(H,12,13)
InChIKeyBKDMBSUXMFQXQA-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.57
Rot. Bonds

About 6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one

6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 90750655) has the molecular formula C9H9FN2O2 and a molecular weight of 196.18 g/mol. Its IUPAC name is 6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one
PubChem CID90750655
Molecular FormulaC9H9FN2O2
Molecular Weight196.18 g/mol
Exact Mass196.06
IUPAC Name6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one
SMILESCc1cc2c(cc1F)C(=O)NC(O)N2
InChIInChI=1S/C9H9FN2O2/c1-4-2-7-5(3-6(4)10)8(13)12-9(14)11-7/h2-3,9,11,14H,1H3,(H,12,13)
InChIKeyBKDMBSUXMFQXQA-UHFFFAOYSA-N
XLogP0.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one (CID 90750655) is 6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one is Cc1cc2c(cc1F)C(=O)NC(O)N2.
What is the InChIKey of 6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is BKDMBSUXMFQXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O2/c1-4-2-7-5(3-6(4)10)8(13)12-9(14)11-7/h2-3,9,11,14H,1H3,(H,12,13).
What are the key properties of 6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one?
6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 196.18 g/mol, XLogP of 0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 90750655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).