5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine

C21H25N5O2 — CID 162646712

IUPAC5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine
SMILESCOc1c(Nc2ccc(N3CCN(C)CC3)cc2)cc(OC)c2ncncc12
InChIInChI=1S/C21H25N5O2/c1-25-8-10-26(11-9-25)16-6-4-15(5-7-16)24-18-12-19(27-2)20-17(21(18)28-3)13-22-14-23-20/h4-7,12-14,24H,8-11H2,1-3H3
InChIKeyGXWYGOIBSWXWPY-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.14
Rot. Bonds5

About 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine

5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine (PubChem CID 162646712) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine.

Molecular Properties

Compound Name5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine
PubChem CID162646712
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine
SMILESCOc1c(Nc2ccc(N3CCN(C)CC3)cc2)cc(OC)c2ncncc12
InChIInChI=1S/C21H25N5O2/c1-25-8-10-26(11-9-25)16-6-4-15(5-7-16)24-18-12-19(27-2)20-17(21(18)28-3)13-22-14-23-20/h4-7,12-14,24H,8-11H2,1-3H3
InChIKeyGXWYGOIBSWXWPY-UHFFFAOYSA-N
XLogP3.14
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine?
The IUPAC name of 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine (CID 162646712) is 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine.
What is the SMILES notation for 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine?
The canonical SMILES for 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine is COc1c(Nc2ccc(N3CCN(C)CC3)cc2)cc(OC)c2ncncc12.
What is the InChIKey of 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine?
The InChIKey is GXWYGOIBSWXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-25-8-10-26(11-9-25)16-6-4-15(5-7-16)24-18-12-19(27-2)20-17(21(18)28-3)13-22-14-23-20/h4-7,12-14,24H,8-11H2,1-3H3.
What are the key properties of 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine?
5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine has a molecular weight of 379.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine is sourced from PubChem (CID 162646712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).