6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

C15H21N5O2 — CID 22749200

IUPAC6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(C)CC3)nc(N)c2cc1OC
InChIInChI=1S/C15H21N5O2/c1-19-4-6-20(7-5-19)15-17-11-9-13(22-3)12(21-2)8-10(11)14(16)18-15/h8-9H,4-7H2,1-3H3,(H2,16,17,18)
InChIKeyZQKDNHIIELNXDB-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.98
Rot. Bonds3

About 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 22749200) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
PubChem CID22749200
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(C)CC3)nc(N)c2cc1OC
InChIInChI=1S/C15H21N5O2/c1-19-4-6-20(7-5-19)15-17-11-9-13(22-3)12(21-2)8-10(11)14(16)18-15/h8-9H,4-7H2,1-3H3,(H2,16,17,18)
InChIKeyZQKDNHIIELNXDB-UHFFFAOYSA-N
XLogP0.98
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine (CID 22749200) is 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is COc1cc2nc(N3CCN(C)CC3)nc(N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is ZQKDNHIIELNXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-4-6-20(7-5-19)15-17-11-9-13(22-3)12(21-2)8-10(11)14(16)18-15/h8-9H,4-7H2,1-3H3,(H2,16,17,18).
What are the key properties of 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine?
6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 22749200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).