6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine

C14H19N5O2 — CID 616267

IUPAC6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine
SMILESCOc1cc2nc(N3CCNCC3)nc(N)c2cc1OC
InChIInChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)
InChIKeyAPKHJGDGWQDBGM-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.64
Rot. Bonds3

About 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine

6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine (PubChem CID 616267) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine
PubChem CID616267
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine
SMILESCOc1cc2nc(N3CCNCC3)nc(N)c2cc1OC
InChIInChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)
InChIKeyAPKHJGDGWQDBGM-UHFFFAOYSA-N
XLogP0.64
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine (CID 616267) is 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine is COc1cc2nc(N3CCNCC3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine?
The InChIKey is APKHJGDGWQDBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18).
What are the key properties of 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine?
6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-piperazin-1-ylquinazolin-4-amine is sourced from PubChem (CID 616267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).