[1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol

C14H14F3N3O — CID 5330906

IUPAC[1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)13-18-11-6-2-1-5-10(11)12(19-13)20-7-3-4-9(20)8-21/h1-2,5-6,9,21H,3-4,7-8H2
InChIKeyQTTQRPVEAJDVPQ-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.61
Rot. Bonds2

About [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol

[1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 5330906) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID5330906
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name[1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)13-18-11-6-2-1-5-10(11)12(19-13)20-7-3-4-9(20)8-21/h1-2,5-6,9,21H,3-4,7-8H2
InChIKeyQTTQRPVEAJDVPQ-UHFFFAOYSA-N
XLogP2.61
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol 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 [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol (CID 5330906) is [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1nc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is QTTQRPVEAJDVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)13-18-11-6-2-1-5-10(11)12(19-13)20-7-3-4-9(20)8-21/h1-2,5-6,9,21H,3-4,7-8H2.
What are the key properties of [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol?
[1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 297.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethyl)quinazolin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 5330906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).