5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one

C15H16FN3O3 — CID 24991320

IUPAC5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one
SMILESO=C(CC1NCCC1O)Cn1cnc2cccc(F)c2c1=O
InChIInChI=1S/C15H16FN3O3/c16-10-2-1-3-11-14(10)15(22)19(8-18-11)7-9(20)6-12-13(21)4-5-17-12/h1-3,8,12-13,17,21H,4-7H2
InChIKeyLWCUYXHNXBAFIW-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.22
Rot. Bonds4

About 5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one

5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one (PubChem CID 24991320) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one
PubChem CID24991320
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one
SMILESO=C(CC1NCCC1O)Cn1cnc2cccc(F)c2c1=O
InChIInChI=1S/C15H16FN3O3/c16-10-2-1-3-11-14(10)15(22)19(8-18-11)7-9(20)6-12-13(21)4-5-17-12/h1-3,8,12-13,17,21H,4-7H2
InChIKeyLWCUYXHNXBAFIW-UHFFFAOYSA-N
XLogP0.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[(2S,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 11208839
3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one
CID 56949689
1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one
CID 126716045
7-bromo-6-chloro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one
CID 46185640
7-benzyl-6-chloro-3-[3-[(2R,3S)-3-hydroxypyrrolidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 58482448
6-(3,4-difluorophenyl)-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]pyrido[3,2-d]pyrimidin-4-one;dihydrochloride
CID 157486151
1-(5-chlorobenzimidazol-1-yl)-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propan-2-one
CID 126716140
6,7-dibromo-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one
CID 160595097
3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-(trifluoromethyl)quinazolin-4-one;dihydrobromide
CID 67873969
1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-[7-(4-methylphenyl)benzimidazol-1-yl]propan-2-one
CID 134251584
3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile
CID 14233671
3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one
CID 117263580

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one?
The IUPAC name of 5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one (CID 24991320) is 5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one?
The canonical SMILES for 5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one is O=C(CC1NCCC1O)Cn1cnc2cccc(F)c2c1=O.
What is the InChIKey of 5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one?
The InChIKey is LWCUYXHNXBAFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-10-2-1-3-11-14(10)15(22)19(8-18-11)7-9(20)6-12-13(21)4-5-17-12/h1-3,8,12-13,17,21H,4-7H2.
What are the key properties of 5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one?
5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one has a molecular weight of 305.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 24991320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).