pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone

C20H20F3N3O — CID 122558076

IUPACpyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone
SMILESO=C(c1cccc(-c2nc3c(c(C(F)(F)F)n2)CCCC3)c1)N1CCCC1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)17-15-8-1-2-9-16(15)24-18(25-17)13-6-5-7-14(12-13)19(27)26-10-3-4-11-26/h5-7,12H,1-4,8-11H2
InChIKeyAUXYKEUXLZLICD-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.28
Rot. Bonds2

About pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone

pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone (PubChem CID 122558076) has the molecular formula C20H20F3N3O and a molecular weight of 375.39 g/mol. Its IUPAC name is pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone
PubChem CID122558076
Molecular FormulaC20H20F3N3O
Molecular Weight375.39 g/mol
Exact Mass375.16
IUPAC Namepyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone
SMILESO=C(c1cccc(-c2nc3c(c(C(F)(F)F)n2)CCCC3)c1)N1CCCC1
InChIInChI=1S/C20H20F3N3O/c21-20(22,23)17-15-8-1-2-9-16(15)24-18(25-17)13-6-5-7-14(12-13)19(27)26-10-3-4-11-26/h5-7,12H,1-4,8-11H2
InChIKeyAUXYKEUXLZLICD-UHFFFAOYSA-N
XLogP4.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone?
The IUPAC name of pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone (CID 122558076) is pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone is O=C(c1cccc(-c2nc3c(c(C(F)(F)F)n2)CCCC3)c1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone?
The InChIKey is AUXYKEUXLZLICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O/c21-20(22,23)17-15-8-1-2-9-16(15)24-18(25-17)13-6-5-7-14(12-13)19(27)26-10-3-4-11-26/h5-7,12H,1-4,8-11H2.
What are the key properties of pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone?
pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone has a molecular weight of 375.39 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[3-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]methanone is sourced from PubChem (CID 122558076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).