5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate

C13H18N4O2 — CID 175545110

IUPAC5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate
SMILESO=C(Oc1ncnc2c1CCCC2)N1CCNCC1
InChIInChI=1S/C13H18N4O2/c18-13(17-7-5-14-6-8-17)19-12-10-3-1-2-4-11(10)15-9-16-12/h9,14H,1-8H2
InChIKeyDQZQZQREXJMMBZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.76
Rot. Bonds1

About 5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate

5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate (PubChem CID 175545110) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate
PubChem CID175545110
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate
SMILESO=C(Oc1ncnc2c1CCCC2)N1CCNCC1
InChIInChI=1S/C13H18N4O2/c18-13(17-7-5-14-6-8-17)19-12-10-3-1-2-4-11(10)15-9-16-12/h9,14H,1-8H2
InChIKeyDQZQZQREXJMMBZ-UHFFFAOYSA-N
XLogP0.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate?
The IUPAC name of 5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate (CID 175545110) is 5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate.
What is the SMILES notation for 5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate?
The canonical SMILES for 5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate is O=C(Oc1ncnc2c1CCCC2)N1CCNCC1.
What is the InChIKey of 5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate?
The InChIKey is DQZQZQREXJMMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13(17-7-5-14-6-8-17)19-12-10-3-1-2-4-11(10)15-9-16-12/h9,14H,1-8H2.
What are the key properties of 5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate?
5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinazolin-4-yl piperazine-1-carboxylate is sourced from PubChem (CID 175545110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).