ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate

C22H23N3O2 — CID 3803548

IUPACethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C22H23N3O2/c1-2-27-22(26)17-12-14-25(15-13-17)21-18-10-6-7-11-19(18)23-20(24-21)16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3
InChIKeyPBPIEXFFGUZUDR-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.08
Rot. Bonds4

About ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate

ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate (PubChem CID 3803548) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate
PubChem CID3803548
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Nameethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C22H23N3O2/c1-2-27-22(26)17-12-14-25(15-13-17)21-18-10-6-7-11-19(18)23-20(24-21)16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3
InChIKeyPBPIEXFFGUZUDR-UHFFFAOYSA-N
XLogP4.08
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate 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 ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate (CID 3803548) is ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate?
The InChIKey is PBPIEXFFGUZUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-27-22(26)17-12-14-25(15-13-17)21-18-10-6-7-11-19(18)23-20(24-21)16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3.
What are the key properties of ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate?
ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate has a molecular weight of 361.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-phenylquinazolin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 3803548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).