3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one

C16H18FN3O3 — CID 30895758

IUPAC3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
SMILESCC[C@H]1CN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CCO1
InChIInChI=1S/C16H18FN3O3/c1-2-12-8-19(5-6-23-12)15(21)9-20-10-18-14-4-3-11(17)7-13(14)16(20)22/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m0/s1
InChIKeyBBMHPRUUPAMHEV-LBPRGKRZSA-N
MW319.34 g/mol
LogP1.17
Rot. Bonds3

About 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one

3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one (PubChem CID 30895758) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
PubChem CID30895758
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
SMILESCC[C@H]1CN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CCO1
InChIInChI=1S/C16H18FN3O3/c1-2-12-8-19(5-6-23-12)15(21)9-20-10-18-14-4-3-11(17)7-13(14)16(20)22/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m0/s1
InChIKeyBBMHPRUUPAMHEV-LBPRGKRZSA-N
XLogP1.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-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

6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 46581608
3-[2-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 96512897
6-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolo[3,4-d]pyrimidin-4-one
CID 138049385
N-benzyl-1-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxamide
CID 46402429
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248183
2-[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30837051
3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 42907612
6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 30836403
6-chloro-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7587468
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one?
The IUPAC name of 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one (CID 30895758) is 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one.
What is the SMILES notation for 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one?
The canonical SMILES for 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one is CC[C@H]1CN(C(=O)Cn2cnc3ccc(F)cc3c2=O)CCO1.
What is the InChIKey of 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one?
The InChIKey is BBMHPRUUPAMHEV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-2-12-8-19(5-6-23-12)15(21)9-20-10-18-14-4-3-11(17)7-13(14)16(20)22/h3-4,7,10,12H,2,5-6,8-9H2,1H3/t12-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one?
3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one has a molecular weight of 319.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-ethylmorpholin-4-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one is sourced from PubChem (CID 30895758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).