4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

C19H16F3N3O2 — CID 147508681

IUPAC4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(N2CC[C@@H](O)C2)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)12-6-7-15-16(10-12)25(13-4-2-1-3-5-13)18(27)23-17(15)24-9-8-14(26)11-24/h1-7,10,14,26H,8-9,11H2/t14-/m1/s1
InChIKeyFIVUQIUSDNJTFE-CQSZACIVSA-N
MW375.35 g/mol
LogP2.98
Rot. Bonds2

About 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 147508681) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID147508681
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(N2CC[C@@H](O)C2)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)12-6-7-15-16(10-12)25(13-4-2-1-3-5-13)18(27)23-17(15)24-9-8-14(26)11-24/h1-7,10,14,26H,8-9,11H2/t14-/m1/s1
InChIKeyFIVUQIUSDNJTFE-CQSZACIVSA-N
XLogP2.98
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 147508681) is 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is O=c1nc(N2CC[C@@H](O)C2)c2ccc(C(F)(F)F)cc2n1-c1ccccc1.
What is the InChIKey of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is FIVUQIUSDNJTFE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)12-6-7-15-16(10-12)25(13-4-2-1-3-5-13)18(27)23-17(15)24-9-8-14(26)11-24/h1-7,10,14,26H,8-9,11H2/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 375.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 147508681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).