3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione

C13H12F3N3O2 — CID 117262896

IUPAC3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)n1C1CCCN1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)7-3-4-8-9(6-7)18-12(21)19(11(8)20)10-2-1-5-17-10/h3-4,6,10,17H,1-2,5H2,(H,18,21)
InChIKeyRTAYXZQBFXUPEG-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.59
Rot. Bonds1

About 3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione

3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione (PubChem CID 117262896) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
PubChem CID117262896
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)n1C1CCCN1
InChIInChI=1S/C13H12F3N3O2/c14-13(15,16)7-3-4-8-9(6-7)18-12(21)19(11(8)20)10-2-1-5-17-10/h3-4,6,10,17H,1-2,5H2,(H,18,21)
InChIKeyRTAYXZQBFXUPEG-UHFFFAOYSA-N
XLogP1.59
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrrolidin-2-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262841
1-methyl-3-pyrrolidin-2-yl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262897
3-(oxolan-3-yl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261468
3-cyclopropyl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261419
3-(pyrrolidin-3-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262875
6-fluoro-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
CID 117207211
5-hydroxy-3-pyrrolidin-2-yl-1H-benzimidazol-2-one
CID 117207966
3-(2,3-dihydro-1H-inden-2-yl)-2-sulfanylidene-7-(trifluoromethyl)-1H-quinazolin-4-one
CID 90359324
7-fluoro-1-methyl-3-pyrrolidin-2-ylquinazoline-2,4-dione
CID 117262903
3-(thian-2-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117207237
3-phenylmethoxy-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 66572213
7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione
CID 117262827

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione (CID 117262896) is 3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione is O=c1[nH]c2cc(C(F)(F)F)ccc2c(=O)n1C1CCCN1.
What is the InChIKey of 3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
The InChIKey is RTAYXZQBFXUPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c14-13(15,16)7-3-4-8-9(6-7)18-12(21)19(11(8)20)10-2-1-5-17-10/h3-4,6,10,17H,1-2,5H2,(H,18,21).
What are the key properties of 3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione?
3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione has a molecular weight of 299.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-7-(trifluoromethyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117262896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).