6-fluoro-8-methoxy-3H-quinazolin-4-one

C9H7FN2O2 — CID 136677465

IUPAC6-fluoro-8-methoxy-3H-quinazolin-4-one
SMILESCOc1cc(F)cc2c(=O)[nH]cnc12
InChIInChI=1S/C9H7FN2O2/c1-14-7-3-5(10)2-6-8(7)11-4-12-9(6)13/h2-4H,1H3,(H,11,12,13)
InChIKeyQMQXSEGDUZGLKQ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.07
Rot. Bonds1

About 6-fluoro-8-methoxy-3H-quinazolin-4-one

6-fluoro-8-methoxy-3H-quinazolin-4-one (PubChem CID 136677465) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 6-fluoro-8-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-8-methoxy-3H-quinazolin-4-one
PubChem CID136677465
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name6-fluoro-8-methoxy-3H-quinazolin-4-one
SMILESCOc1cc(F)cc2c(=O)[nH]cnc12
InChIInChI=1S/C9H7FN2O2/c1-14-7-3-5(10)2-6-8(7)11-4-12-9(6)13/h2-4H,1H3,(H,11,12,13)
InChIKeyQMQXSEGDUZGLKQ-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

8-Methoxy-2-phenyl-4(3H)-quinazolinone
CID 135439437
8-Methoxy-2-methyl-3H-quinazolin-4-one
CID 135411146
8-Methoxy-2-[4-(Trifluoromethyl)phenyl]-3,4-Dihydroquinazolin-4-One
CID 135513721
8-Methoxy-2-(4-Methylphenyl)-3,4-Dihydroquinazolin-4-One
CID 135566972
8-Hydroxyquinazoline-4(3H)-one
CID 135616887
2-(4-Methoxyphenyl)-8-methoxyquinazoline-4(3H)-one
CID 135417258
2-(4-Fluorophenyl)-8-methoxyquinazolin-4(3H)-one
CID 135443732
2-(4-Amino-phenyl)-8-methoxy-3H-quinazolin-4-one
CID 135456692
5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135996010
6-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136379527
N-(3-methoxybenzyl)-3-[4-oxo-3(4H)-quinazolinyl]propanamide
CID 16031787
8-Methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-3H-quinazolin-4-one
CID 135496193

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methoxy-3H-quinazolin-4-one?
The IUPAC name of 6-fluoro-8-methoxy-3H-quinazolin-4-one (CID 136677465) is 6-fluoro-8-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 6-fluoro-8-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 6-fluoro-8-methoxy-3H-quinazolin-4-one is COc1cc(F)cc2c(=O)[nH]cnc12.
What is the InChIKey of 6-fluoro-8-methoxy-3H-quinazolin-4-one?
The InChIKey is QMQXSEGDUZGLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c1-14-7-3-5(10)2-6-8(7)11-4-12-9(6)13/h2-4H,1H3,(H,11,12,13).
What are the key properties of 6-fluoro-8-methoxy-3H-quinazolin-4-one?
6-fluoro-8-methoxy-3H-quinazolin-4-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-8-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136677465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).