N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide

C16H20N4O2 — CID 47807499

IUPACN-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C16H20N4O2/c21-10-7-17-16(22)12-5-8-20(9-6-12)15-13-3-1-2-4-14(13)18-11-19-15/h1-4,11-12,21H,5-10H2,(H,17,22)
InChIKeyUGRHVEPLGGURKH-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.95
Rot. Bonds4

About N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide

N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide (PubChem CID 47807499) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
PubChem CID47807499
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C16H20N4O2/c21-10-7-17-16(22)12-5-8-20(9-6-12)15-13-3-1-2-4-14(13)18-11-19-15/h1-4,11-12,21H,5-10H2,(H,17,22)
InChIKeyUGRHVEPLGGURKH-UHFFFAOYSA-N
XLogP0.95
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide 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 N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide (CID 47807499) is N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide is O=C(NCCO)C1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
The InChIKey is UGRHVEPLGGURKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-10-7-17-16(22)12-5-8-20(9-6-12)15-13-3-1-2-4-14(13)18-11-19-15/h1-4,11-12,21H,5-10H2,(H,17,22).
What are the key properties of N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide?
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 47807499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).