7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one

C14H14FN3O4 — CID 156578298

IUPAC7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one
SMILESCc1nc2cc(F)cc(O)c2c(=O)n1C1CCC(=O)NC1O
InChIInChI=1S/C14H14FN3O4/c1-6-16-8-4-7(15)5-10(19)12(8)14(22)18(6)9-2-3-11(20)17-13(9)21/h4-5,9,13,19,21H,2-3H2,1H3,(H,17,20)
InChIKeyNBRKIGMOFMCHPT-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.32
Rot. Bonds1

About 7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one

7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one (PubChem CID 156578298) has the molecular formula C14H14FN3O4 and a molecular weight of 307.28 g/mol. Its IUPAC name is 7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one
PubChem CID156578298
Molecular FormulaC14H14FN3O4
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one
SMILESCc1nc2cc(F)cc(O)c2c(=O)n1C1CCC(=O)NC1O
InChIInChI=1S/C14H14FN3O4/c1-6-16-8-4-7(15)5-10(19)12(8)14(22)18(6)9-2-3-11(20)17-13(9)21/h4-5,9,13,19,21H,2-3H2,1H3,(H,17,20)
InChIKeyNBRKIGMOFMCHPT-UHFFFAOYSA-N
XLogP0.32
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methyl-5-(trifluoromethyl)quinazolin-4-one
CID 130358797
6-tert-butyl-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one
CID 167278710
(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076
(4S)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione
CID 157287369
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
4-[7-fluoro-2-methyl-4-oxo-5-(propan-2-ylamino)quinazolin-3-yl]cyclohexane-1,3-dione
CID 157289548
(4S)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione;(4R)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione;4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione;(4R)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)-4-deuteriocyclohexane-1,3-dione;(4S)-4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)-4-deuteriocyclohexane-1,3-dione;4-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)-4-deuteriocyclohexane-1,3-dione;4-[5-amino-7-fluoro-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]cyclohexane-1,3-dione;4-[5-amino-7-fluoro-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-4-deuteriocyclohexane-1,3-dione
CID 157287368
5-amino-3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazoline-7-carbonitrile
CID 146338206
3-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)azepane-2,7-dione
CID 166818482
CID 174089779
CID 174089779
3-(7-bromo-2-methyl-5-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338228
4-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)cyclohexane-1,3-dione
CID 147199581

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one?
The IUPAC name of 7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one (CID 156578298) is 7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one.
What is the SMILES notation for 7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one?
The canonical SMILES for 7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one is Cc1nc2cc(F)cc(O)c2c(=O)n1C1CCC(=O)NC1O.
What is the InChIKey of 7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one?
The InChIKey is NBRKIGMOFMCHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4/c1-6-16-8-4-7(15)5-10(19)12(8)14(22)18(6)9-2-3-11(20)17-13(9)21/h4-5,9,13,19,21H,2-3H2,1H3,(H,17,20).
What are the key properties of 7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one?
7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one has a molecular weight of 307.28 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-hydroxy-3-(2-hydroxy-6-oxopiperidin-3-yl)-2-methylquinazolin-4-one is sourced from PubChem (CID 156578298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).