methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate

C20H22F3N3O5 — CID 14233670

IUPACmethyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](OC)[C@H]1CC(=O)Cn1cnc2ccc(C(F)(F)F)cc2c1=O
InChIInChI=1S/C20H22F3N3O5/c1-30-17-4-3-7-26(19(29)31-2)16(17)9-13(27)10-25-11-24-15-6-5-12(20(21,22)23)8-14(15)18(25)28/h5-6,8,11,16-17H,3-4,7,9-10H2,1-2H3/t16-,17+/m1/s1
InChIKeyFTMYUTVHQJGHCQ-SJORKVTESA-N
MW441.41 g/mol
LogP2.62
Rot. Bonds5

About methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate

methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate (PubChem CID 14233670) has the molecular formula C20H22F3N3O5 and a molecular weight of 441.41 g/mol. Its IUPAC name is methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate
PubChem CID14233670
Molecular FormulaC20H22F3N3O5
Molecular Weight441.41 g/mol
Exact Mass441.15
IUPAC Namemethyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC[C@H](OC)[C@H]1CC(=O)Cn1cnc2ccc(C(F)(F)F)cc2c1=O
InChIInChI=1S/C20H22F3N3O5/c1-30-17-4-3-7-26(19(29)31-2)16(17)9-13(27)10-25-11-24-15-6-5-12(20(21,22)23)8-14(15)18(25)28/h5-6,8,11,16-17H,3-4,7,9-10H2,1-2H3/t16-,17+/m1/s1
InChIKeyFTMYUTVHQJGHCQ-SJORKVTESA-N
XLogP2.62
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate 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

CID 9851692
CID 9851692
CID 63224
CID 63224
CID 115723
CID 115723
CID 11208839
CID 11208839
CID 15949380
CID 15949380
CID 44410218
CID 44410218
CID 44410301
CID 44410301
CID 10872670
CID 10872670
CID 11003503
CID 11003503
CID 11731782
CID 11731782
CID 11845613
CID 11845613
CID 44320205
CID 44320205

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate?
The IUPAC name of methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate (CID 14233670) is methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate?
The canonical SMILES for methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate is COC(=O)N1CCC[C@H](OC)[C@H]1CC(=O)Cn1cnc2ccc(C(F)(F)F)cc2c1=O.
What is the InChIKey of methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate?
The InChIKey is FTMYUTVHQJGHCQ-SJORKVTESA-N. The full InChI is InChI=1S/C20H22F3N3O5/c1-30-17-4-3-7-26(19(29)31-2)16(17)9-13(27)10-25-11-24-15-6-5-12(20(21,22)23)8-14(15)18(25)28/h5-6,8,11,16-17H,3-4,7,9-10H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate?
methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate has a molecular weight of 441.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-methoxy-2-[2-oxo-3-[4-oxo-6-(trifluoromethyl)quinazolin-3-yl]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 14233670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).