(2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one

C13H11F3N2O2 — CID 71605339

IUPAC(2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one
SMILESC[C@@H]1C2=Nc3ccccc3CN2C(=O)[C@@]1(O)C(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c1-7-10-17-9-5-3-2-4-8(9)6-18(10)11(19)12(7,20)13(14,15)16/h2-5,7,20H,6H2,1H3/t7-,12-/m1/s1
InChIKeyDMZZLNUJYLJGIN-JMCQJSRRSA-N
MW284.24 g/mol
LogP2.00
Rot. Bonds

About (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one

(2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one (PubChem CID 71605339) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one
PubChem CID71605339
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name(2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one
SMILESC[C@@H]1C2=Nc3ccccc3CN2C(=O)[C@@]1(O)C(F)(F)F
InChIInChI=1S/C13H11F3N2O2/c1-7-10-17-9-5-3-2-4-8(9)6-18(10)11(19)12(7,20)13(14,15)16/h2-5,7,20H,6H2,1H3/t7-,12-/m1/s1
InChIKeyDMZZLNUJYLJGIN-JMCQJSRRSA-N
XLogP2.00
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one with MolForge

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Related Compounds

2-chloro-3-phenyl-4H-quinazoline
CID 174952978
2-(4-aminophenyl)-5H-[1,3]thiazolo[2,3-b]quinazolin-3-one
CID 21090613
2-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)propan-2-ol
CID 53299012
(2R,3R,3aS)-2-hydroxy-3-phenyl-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one
CID 71605341
3-(4-bromophenyl)-2-methylsulfanyl-4H-quinazoline
CID 677983
5H-[1,3]thiazolo[2,3-b]quinazolin-3-one;hydrobromide
CID 18531648
3-iodo-2-methylsulfanyl-4H-quinazoline
CID 163198633
2-(4-methylphenyl)-3-phenyl-4H-quinazoline
CID 174881000
2-methyl-3-(2-methylphenyl)-4H-quinazoline
CID 174924725
(2R,3aR)-2-hydroxy-2-(trifluoromethyl)-3,3a,4,9-tetrahydropyrrolo[2,1-b]quinazolin-1-one
CID 102205150
1-butyl-4-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)piperidin-4-ol
CID 46336027
3-(2-methyl-4H-quinazolin-3-yl)piperidine-2,6-dione
CID 69335531

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one?
The IUPAC name of (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one (CID 71605339) is (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one.
What is the SMILES notation for (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one?
The canonical SMILES for (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one is C[C@@H]1C2=Nc3ccccc3CN2C(=O)[C@@]1(O)C(F)(F)F.
What is the InChIKey of (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one?
The InChIKey is DMZZLNUJYLJGIN-JMCQJSRRSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-7-10-17-9-5-3-2-4-8(9)6-18(10)11(19)12(7,20)13(14,15)16/h2-5,7,20H,6H2,1H3/t7-,12-/m1/s1.
What are the key properties of (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one?
(2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one has a molecular weight of 284.24 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-3-methyl-2-(trifluoromethyl)-3,9-dihydropyrrolo[2,1-b]quinazolin-1-one is sourced from PubChem (CID 71605339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).