6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride

C14H20ClN5O2 — CID 20523600

IUPAC6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride
SMILESCOc1cc2nc(C3CNCCN3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C14H19N5O2.ClH/c1-20-11-5-8-9(6-12(11)21-2)18-14(19-13(8)15)10-7-16-3-4-17-10;/h5-6,10,16-17H,3-4,7H2,1-2H3,(H2,15,18,19);1H
InChIKeyHGGPTZHASIVARA-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.88
Rot. Bonds3

About 6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride

6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride (PubChem CID 20523600) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride
PubChem CID20523600
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride
SMILESCOc1cc2nc(C3CNCCN3)nc(N)c2cc1OC.Cl
InChIInChI=1S/C14H19N5O2.ClH/c1-20-11-5-8-9(6-12(11)21-2)18-14(19-13(8)15)10-7-16-3-4-17-10;/h5-6,10,16-17H,3-4,7H2,1-2H3,(H2,15,18,19);1H
InChIKeyHGGPTZHASIVARA-UHFFFAOYSA-N
XLogP0.88
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride?
The IUPAC name of 6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride (CID 20523600) is 6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride is COc1cc2nc(C3CNCCN3)nc(N)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride?
The InChIKey is HGGPTZHASIVARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2.ClH/c1-20-11-5-8-9(6-12(11)21-2)18-14(19-13(8)15)10-7-16-3-4-17-10;/h5-6,10,16-17H,3-4,7H2,1-2H3,(H2,15,18,19);1H.
What are the key properties of 6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride?
6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-piperazin-2-ylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 20523600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).