6,7,8-trimethoxy-2-piperazin-1-ylquinazoline

C15H20N4O3 — CID 22707489

IUPAC6,7,8-trimethoxy-2-piperazin-1-ylquinazoline
SMILESCOc1cc2cnc(N3CCNCC3)nc2c(OC)c1OC
InChIInChI=1S/C15H20N4O3/c1-20-11-8-10-9-17-15(19-6-4-16-5-7-19)18-12(10)14(22-3)13(11)21-2/h8-9,16H,4-7H2,1-3H3
InChIKeyGTVVMIUVEKLZME-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.07
Rot. Bonds4

About 6,7,8-trimethoxy-2-piperazin-1-ylquinazoline

6,7,8-trimethoxy-2-piperazin-1-ylquinazoline (PubChem CID 22707489) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6,7,8-trimethoxy-2-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name6,7,8-trimethoxy-2-piperazin-1-ylquinazoline
PubChem CID22707489
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name6,7,8-trimethoxy-2-piperazin-1-ylquinazoline
SMILESCOc1cc2cnc(N3CCNCC3)nc2c(OC)c1OC
InChIInChI=1S/C15H20N4O3/c1-20-11-8-10-9-17-15(19-6-4-16-5-7-19)18-12(10)14(22-3)13(11)21-2/h8-9,16H,4-7H2,1-3H3
InChIKeyGTVVMIUVEKLZME-UHFFFAOYSA-N
XLogP1.07
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-2-piperazin-1-ylquinazoline?
The IUPAC name of 6,7,8-trimethoxy-2-piperazin-1-ylquinazoline (CID 22707489) is 6,7,8-trimethoxy-2-piperazin-1-ylquinazoline.
What is the SMILES notation for 6,7,8-trimethoxy-2-piperazin-1-ylquinazoline?
The canonical SMILES for 6,7,8-trimethoxy-2-piperazin-1-ylquinazoline is COc1cc2cnc(N3CCNCC3)nc2c(OC)c1OC.
What is the InChIKey of 6,7,8-trimethoxy-2-piperazin-1-ylquinazoline?
The InChIKey is GTVVMIUVEKLZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-20-11-8-10-9-17-15(19-6-4-16-5-7-19)18-12(10)14(22-3)13(11)21-2/h8-9,16H,4-7H2,1-3H3.
What are the key properties of 6,7,8-trimethoxy-2-piperazin-1-ylquinazoline?
6,7,8-trimethoxy-2-piperazin-1-ylquinazoline has a molecular weight of 304.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-2-piperazin-1-ylquinazoline is sourced from PubChem (CID 22707489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).