7-fluoro-3-methyl-4aH-quinazoline-2,4-dione

C9H7FN2O2 — CID 77188670

IUPAC7-fluoro-3-methyl-4aH-quinazoline-2,4-dione
SMILESCN1C(=O)N=C2C=C(F)C=CC2C1=O
InChIInChI=1S/C9H7FN2O2/c1-12-8(13)6-3-2-5(10)4-7(6)11-9(12)14/h2-4,6H,1H3
InChIKeyJHCJAPYZGRYTGM-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.06
Rot. Bonds

About 7-fluoro-3-methyl-4aH-quinazoline-2,4-dione

7-fluoro-3-methyl-4aH-quinazoline-2,4-dione (PubChem CID 77188670) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 7-fluoro-3-methyl-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-fluoro-3-methyl-4aH-quinazoline-2,4-dione
PubChem CID77188670
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name7-fluoro-3-methyl-4aH-quinazoline-2,4-dione
SMILESCN1C(=O)N=C2C=C(F)C=CC2C1=O
InChIInChI=1S/C9H7FN2O2/c1-12-8(13)6-3-2-5(10)4-7(6)11-9(12)14/h2-4,6H,1H3
InChIKeyJHCJAPYZGRYTGM-UHFFFAOYSA-N
XLogP1.06
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-4aH-quinazoline-2,4-dione?
The IUPAC name of 7-fluoro-3-methyl-4aH-quinazoline-2,4-dione (CID 77188670) is 7-fluoro-3-methyl-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 7-fluoro-3-methyl-4aH-quinazoline-2,4-dione?
The canonical SMILES for 7-fluoro-3-methyl-4aH-quinazoline-2,4-dione is CN1C(=O)N=C2C=C(F)C=CC2C1=O.
What is the InChIKey of 7-fluoro-3-methyl-4aH-quinazoline-2,4-dione?
The InChIKey is JHCJAPYZGRYTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-12-8(13)6-3-2-5(10)4-7(6)11-9(12)14/h2-4,6H,1H3.
What are the key properties of 7-fluoro-3-methyl-4aH-quinazoline-2,4-dione?
7-fluoro-3-methyl-4aH-quinazoline-2,4-dione has a molecular weight of 194.16 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 77188670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).