3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one

C16H18FN3O3 — CID 56949689

IUPAC3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one
SMILESCCO[C@H]1CCN[C@@H]1C(=O)Cn1cnc2cccc(F)c2c1=O
InChIInChI=1S/C16H18FN3O3/c1-2-23-13-6-7-18-15(13)12(21)8-20-9-19-11-5-3-4-10(17)14(11)16(20)22/h3-5,9,13,15,18H,2,6-8H2,1H3/t13-,15+/m0/s1
InChIKeyMOCLKUFMBGPXLX-DZGCQCFKSA-N
MW319.34 g/mol
LogP0.87
Rot. Bonds5

About 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one

3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one (PubChem CID 56949689) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one
PubChem CID56949689
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one
SMILESCCO[C@H]1CCN[C@@H]1C(=O)Cn1cnc2cccc(F)c2c1=O
InChIInChI=1S/C16H18FN3O3/c1-2-23-13-6-7-18-15(13)12(21)8-20-9-19-11-5-3-4-10(17)14(11)16(20)22/h3-5,9,13,15,18H,2,6-8H2,1H3/t13-,15+/m0/s1
InChIKeyMOCLKUFMBGPXLX-DZGCQCFKSA-N
XLogP0.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-3-[3-(3-hydroxypyrrolidin-2-yl)-2-oxopropyl]quinazolin-4-one
CID 24991320
3-(azetidin-3-ylmethyl)-5-fluoroquinazolin-4-one
CID 117263580
5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one
CID 46991175
3-(5-fluoro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 156837320
3-[2-[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]-2-oxoethyl]quinazolin-4-one
CID 110164483
2-(4-fluoro-3-methylindazol-2-yl)acetic acid
CID 84722585
ethyl 4-(4-methoxyphenyl)-2-oxo-6-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46792894
ethyl 1-[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 40743560
[(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 40624414
[(3R)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995381
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 126788538
ethyl 2-oxo-6-[(4-oxoquinazolin-3-yl)methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 42894786

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one?
The IUPAC name of 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one (CID 56949689) is 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one?
The canonical SMILES for 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one is CCO[C@H]1CCN[C@@H]1C(=O)Cn1cnc2cccc(F)c2c1=O.
What is the InChIKey of 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one?
The InChIKey is MOCLKUFMBGPXLX-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-2-23-13-6-7-18-15(13)12(21)8-20-9-19-11-5-3-4-10(17)14(11)16(20)22/h3-5,9,13,15,18H,2,6-8H2,1H3/t13-,15+/m0/s1.
What are the key properties of 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one?
3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one has a molecular weight of 319.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S,3S)-3-ethoxypyrrolidin-2-yl]-2-oxoethyl]-5-fluoroquinazolin-4-one is sourced from PubChem (CID 56949689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).