oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone

C17H20N4O2 — CID 126894159

IUPACoxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc3ncncc3c2)CC1
InChIInChI=1S/C17H20N4O2/c22-17(16-2-1-9-23-16)21-7-5-20(6-8-21)14-3-4-15-13(10-14)11-18-12-19-15/h3-4,10-12,16H,1-2,5-9H2
InChIKeyCYPCTAAGXOGDGM-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.46
Rot. Bonds2

About oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone

oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone (PubChem CID 126894159) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
PubChem CID126894159
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Nameoxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc3ncncc3c2)CC1
InChIInChI=1S/C17H20N4O2/c22-17(16-2-1-9-23-16)21-7-5-20(6-8-21)14-3-4-15-13(10-14)11-18-12-19-15/h3-4,10-12,16H,1-2,5-9H2
InChIKeyCYPCTAAGXOGDGM-UHFFFAOYSA-N
XLogP1.46
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(4-hydroxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47098482
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43461892
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44917313
N-[4-[4-(oxolane-2-carbonyl)piperazin-1-yl]phenyl]acetamide
CID 113078283
[4-(4-nitrophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2861887
[(2R)-oxolan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222722
(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 126894181

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone?
The IUPAC name of oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone (CID 126894159) is oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone?
The canonical SMILES for oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone is O=C(C1CCCO1)N1CCN(c2ccc3ncncc3c2)CC1.
What is the InChIKey of oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone?
The InChIKey is CYPCTAAGXOGDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(16-2-1-9-23-16)21-7-5-20(6-8-21)14-3-4-15-13(10-14)11-18-12-19-15/h3-4,10-12,16H,1-2,5-9H2.
What are the key properties of oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone?
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 126894159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).