2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol

C18H17N3O — CID 781262

IUPAC2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol
SMILESOc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1
InChIInChI=1S/C18H17N3O/c22-16-10-4-2-8-14(16)17-19-15-9-3-1-7-13(15)18(20-17)21-11-5-6-12-21/h1-4,7-10,22H,5-6,11-12H2
InChIKeyZBYKVGRBYQGVJG-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.60
Rot. Bonds2

About 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol

2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol (PubChem CID 781262) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol
PubChem CID781262
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol
SMILESOc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1
InChIInChI=1S/C18H17N3O/c22-16-10-4-2-8-14(16)17-19-15-9-3-1-7-13(15)18(20-17)21-11-5-6-12-21/h1-4,7-10,22H,5-6,11-12H2
InChIKeyZBYKVGRBYQGVJG-UHFFFAOYSA-N
XLogP3.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol 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 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol?
The IUPAC name of 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol (CID 781262) is 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol?
The canonical SMILES for 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol is Oc1ccccc1-c1nc(N2CCCC2)c2ccccc2n1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol?
The InChIKey is ZBYKVGRBYQGVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-16-10-4-2-8-14(16)17-19-15-9-3-1-7-13(15)18(20-17)21-11-5-6-12-21/h1-4,7-10,22H,5-6,11-12H2.
What are the key properties of 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol?
2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol has a molecular weight of 291.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylquinazolin-2-yl)phenol is sourced from PubChem (CID 781262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).