tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate

C17H22N4O2 — CID 133059522

IUPACtert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccc3cncnc23)CC1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)23-16(22)21-9-7-20(8-10-21)14-6-4-5-13-11-18-12-19-15(13)14/h4-6,11-12H,7-10H2,1-3H3
InChIKeyCFSILWICOPZKTB-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.69
Rot. Bonds1

About tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate

tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate (PubChem CID 133059522) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate
PubChem CID133059522
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Nametert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cccc3cncnc23)CC1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)23-16(22)21-9-7-20(8-10-21)14-6-4-5-13-11-18-12-19-15(13)14/h4-6,11-12H,7-10H2,1-3H3
InChIKeyCFSILWICOPZKTB-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(5-methoxypyrimidin-4-yl)piperazine-1-carboxylate
CID 156898070
tert-butyl 4-(3-hydroxy-2-methylphenyl)piperazine-1-carboxylate
CID 69243250
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 4-(3-amino-2-methylphenyl)piperazine-1-carboxylate
CID 114518325
tert-butyl 4-(2-methyl-3-morpholin-4-ylphenyl)piperazine-1-carboxylate
CID 24824159
tert-butyl 4-(1-methyl-3,4-dihydro-2H-quinolin-5-yl)piperazine-1-carboxylate
CID 69420021
tert-butyl 4-(3-bromo-2-fluorophenyl)piperazine-1-carboxylate
CID 170163901
2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 66765352
tert-butyl 4-[2-(acetyloxymethyl)-1H-benzimidazol-4-yl]piperazine-1-carboxylate
CID 59666040

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate (CID 133059522) is tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cccc3cncnc23)CC1.
What is the InChIKey of tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate?
The InChIKey is CFSILWICOPZKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(2,3)23-16(22)21-9-7-20(8-10-21)14-6-4-5-13-11-18-12-19-15(13)14/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate?
tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-quinazolin-8-ylpiperazine-1-carboxylate is sourced from PubChem (CID 133059522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).