2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one

C17H15FN2O4 — CID 121374175

IUPAC2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one
SMILESCOc1ccc(-c2nc3cccc(=O)c-3c(OC)n2OC)c(F)c1
InChIInChI=1S/C17H15FN2O4/c1-22-10-7-8-11(12(18)9-10)16-19-13-5-4-6-14(21)15(13)17(23-2)20(16)24-3/h4-9H,1-3H3
InChIKeyLGXMRMNWHIDNHC-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one

2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one (PubChem CID 121374175) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one
PubChem CID121374175
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one
SMILESCOc1ccc(-c2nc3cccc(=O)c-3c(OC)n2OC)c(F)c1
InChIInChI=1S/C17H15FN2O4/c1-22-10-7-8-11(12(18)9-10)16-19-13-5-4-6-14(21)15(13)17(23-2)20(16)24-3/h4-9H,1-3H3
InChIKeyLGXMRMNWHIDNHC-UHFFFAOYSA-N
XLogP2.23
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-(2-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 102883560
4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67701779
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
CID 71374375
3-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole
CID 102885848
3-(2-fluoro-4-methoxyphenyl)-2-methylpyridine
CID 118448916
4-(2-fluoro-4-methoxyphenyl)-3,5-dimethylpyridazine
CID 118448889
5-fluoro-2-(2-fluoro-4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 118913437
2-(2-fluoro-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 81303466
2-(2,4-dimethoxyphenyl)-6-(2,6-dimethoxyphenyl)pyridine
CID 90670586
6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 59226555
5-(2-fluoro-4-methoxyphenyl)-3H-1,3,4-oxadiazol-2-one
CID 102885450
2-[[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoic acid
CID 53371341

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one (CID 121374175) is 2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one is COc1ccc(-c2nc3cccc(=O)c-3c(OC)n2OC)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one?
The InChIKey is LGXMRMNWHIDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-22-10-7-8-11(12(18)9-10)16-19-13-5-4-6-14(21)15(13)17(23-2)20(16)24-3/h4-9H,1-3H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one?
2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one has a molecular weight of 330.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-3,4-dimethoxyquinazolin-5-one is sourced from PubChem (CID 121374175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).