(2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one

C12H11F3N2O2 — CID 102205150

IUPAC(2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one
SMILESO=C1N2Cc3ccccc3N[C@H]2C[C@]1(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)11(19)5-9-16-8-4-2-1-3-7(8)6-17(9)10(11)18/h1-4,9,16,19H,5-6H2/t9-,11-/m1/s1
InChIKeyHDOXLDUEEYJVDJ-MWLCHTKSSA-N
MW272.23 g/mol
LogP1.46
Rot. Bonds

About (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one

(2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one (PubChem CID 102205150) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name(2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one
PubChem CID102205150
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name(2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one
SMILESO=C1N2Cc3ccccc3N[C@H]2C[C@]1(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)11(19)5-9-16-8-4-2-1-3-7(8)6-17(9)10(11)18/h1-4,9,16,19H,5-6H2/t9-,11-/m1/s1
InChIKeyHDOXLDUEEYJVDJ-MWLCHTKSSA-N
XLogP1.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-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

(2R,3R,3aS)-2-hydroxy-3-phenyl-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one
CID 71605341
3,3a,4,9-tetrahydro-2H-pyrrolo[2,1-b]quinazolin-1-one
CID 71343310
2-hydroxy-3a-phenyl-2-(trifluoromethyl)-4,9-dihydro-3H-pyrrolo[2,1-b]quinazolin-1-one
CID 78129972
3a-ethyl-2-hydroxy-2-(trifluoromethyl)-4,9-dihydro-3H-pyrrolo[2,1-b]quinazolin-1-one
CID 71605171
5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one
CID 3576033
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
6a,7,8,11-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione
CID 11820613
5-hydroxy-5-(trifluoromethyl)-1,4-dihydro-3,1-benzoxazepin-2-one
CID 59948004
(2S)-2,4-dimethyl-2,5-dihydro-1H-1,4-benzodiazepin-3-one
CID 58984785
3-(1-tert-butylazetidin-3-yl)-1,4-dihydroquinazolin-2-one
CID 58964811
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 155234182
1-(2,3-dihydro-1H-indol-2-yl)-4,4,4-trifluorobutan-1-one
CID 116596983

Frequently Asked Questions

What is the IUPAC name of (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one?
The IUPAC name of (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one (CID 102205150) is (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one?
The canonical SMILES for (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one is O=C1N2Cc3ccccc3N[C@H]2C[C@]1(O)C(F)(F)F.
What is the InChIKey of (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one?
The InChIKey is HDOXLDUEEYJVDJ-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)11(19)5-9-16-8-4-2-1-3-7(8)6-17(9)10(11)18/h1-4,9,16,19H,5-6H2/t9-,11-/m1/s1.
What are the key properties of (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one?
(2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one has a molecular weight of 272.23 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 102205150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).