6-fluoro-4-methoxy-1H-quinazolin-2-one

C9H7FN2O2 — CID 84773047

IUPAC6-fluoro-4-methoxy-1H-quinazolin-2-one
SMILESCOc1nc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C9H7FN2O2/c1-14-8-6-4-5(10)2-3-7(6)11-9(13)12-8/h2-4H,1H3,(H,11,12,13)
InChIKeyDKUYZUZDJJIDCR-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.07
Rot. Bonds1

About 6-fluoro-4-methoxy-1H-quinazolin-2-one

6-fluoro-4-methoxy-1H-quinazolin-2-one (PubChem CID 84773047) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-methoxy-1H-quinazolin-2-one
PubChem CID84773047
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name6-fluoro-4-methoxy-1H-quinazolin-2-one
SMILESCOc1nc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C9H7FN2O2/c1-14-8-6-4-5(10)2-3-7(6)11-9(13)12-8/h2-4H,1H3,(H,11,12,13)
InChIKeyDKUYZUZDJJIDCR-UHFFFAOYSA-N
XLogP1.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-6-methoxy-9H-carbazole
CID 171714917
5-fluoro-3-methoxy-1H-indole-2-carbaldehyde
CID 82402316
4-[(2,3-dimethyl-1H-indol-5-yl)oxy]-6-methoxy-1H-quinazolin-2-one
CID 141070020
4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
CID 4157532
methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
CID 146173958
7-fluoro-4-(1H-pyrazol-4-yl)-1H-quinazolin-2-one
CID 105487560
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030
6-fluoro-2-(3-methoxyphenyl)-1H-quinolin-4-one
CID 22481024
methyl 6-fluoro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 6918825
2,10-difluoro-6-methoxy-12-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
CID 70812593
6-fluoro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
CID 131850823
8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one
CID 175939537

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxy-1H-quinazolin-2-one?
The IUPAC name of 6-fluoro-4-methoxy-1H-quinazolin-2-one (CID 84773047) is 6-fluoro-4-methoxy-1H-quinazolin-2-one.
What is the SMILES notation for 6-fluoro-4-methoxy-1H-quinazolin-2-one?
The canonical SMILES for 6-fluoro-4-methoxy-1H-quinazolin-2-one is COc1nc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-4-methoxy-1H-quinazolin-2-one?
The InChIKey is DKUYZUZDJJIDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-8-6-4-5(10)2-3-7(6)11-9(13)12-8/h2-4H,1H3,(H,11,12,13).
What are the key properties of 6-fluoro-4-methoxy-1H-quinazolin-2-one?
6-fluoro-4-methoxy-1H-quinazolin-2-one has a molecular weight of 194.16 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-1H-quinazolin-2-one is sourced from PubChem (CID 84773047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).