2-phenyl-4-piperidin-1-ylquinazoline

C19H19N3 — CID 780644

IUPAC2-phenyl-4-piperidin-1-ylquinazoline
SMILESc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H19N3/c1-3-9-15(10-4-1)18-20-17-12-6-5-11-16(17)19(21-18)22-13-7-2-8-14-22/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyXYKFBMSBIHMNAV-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.29
Rot. Bonds2

About 2-phenyl-4-piperidin-1-ylquinazoline

2-phenyl-4-piperidin-1-ylquinazoline (PubChem CID 780644) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-phenyl-4-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name2-phenyl-4-piperidin-1-ylquinazoline
PubChem CID780644
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name2-phenyl-4-piperidin-1-ylquinazoline
SMILESc1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C19H19N3/c1-3-9-15(10-4-1)18-20-17-12-6-5-11-16(17)19(21-18)22-13-7-2-8-14-22/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyXYKFBMSBIHMNAV-UHFFFAOYSA-N
XLogP4.29
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-4-piperidin-1-ylquinazoline 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-phenyl-4-piperidin-1-ylquinazoline?
The IUPAC name of 2-phenyl-4-piperidin-1-ylquinazoline (CID 780644) is 2-phenyl-4-piperidin-1-ylquinazoline.
What is the SMILES notation for 2-phenyl-4-piperidin-1-ylquinazoline?
The canonical SMILES for 2-phenyl-4-piperidin-1-ylquinazoline is c1ccc(-c2nc(N3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-4-piperidin-1-ylquinazoline?
The InChIKey is XYKFBMSBIHMNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-3-9-15(10-4-1)18-20-17-12-6-5-11-16(17)19(21-18)22-13-7-2-8-14-22/h1,3-6,9-12H,2,7-8,13-14H2.
What are the key properties of 2-phenyl-4-piperidin-1-ylquinazoline?
2-phenyl-4-piperidin-1-ylquinazoline has a molecular weight of 289.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-piperidin-1-ylquinazoline is sourced from PubChem (CID 780644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).