(Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine

C15H19BrFN5 — CID 88906200

IUPAC(Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine
SMILESC/C=N\N1C(N2CCNCC2)=Nc2cc(F)c(Br)cc2C1C
InChIInChI=1S/C15H19BrFN5/c1-3-19-22-10(2)11-8-12(16)13(17)9-14(11)20-15(22)21-6-4-18-5-7-21/h3,8-10,18H,4-7H2,1-2H3/b19-3-
InChIKeyPJJQGRKCCVETSS-OQOIWIOPSA-N
MW368.25 g/mol
LogP2.86
Rot. Bonds1

About (Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine

(Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine (PubChem CID 88906200) has the molecular formula C15H19BrFN5 and a molecular weight of 368.25 g/mol. Its IUPAC name is (Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine.

Molecular Properties

Compound Name(Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine
PubChem CID88906200
Molecular FormulaC15H19BrFN5
Molecular Weight368.25 g/mol
Exact Mass367.08
IUPAC Name(Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine
SMILESC/C=N\N1C(N2CCNCC2)=Nc2cc(F)c(Br)cc2C1C
InChIInChI=1S/C15H19BrFN5/c1-3-19-22-10(2)11-8-12(16)13(17)9-14(11)20-15(22)21-6-4-18-5-7-21/h3,8-10,18H,4-7H2,1-2H3/b19-3-
InChIKeyPJJQGRKCCVETSS-OQOIWIOPSA-N
XLogP2.86
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine?
The IUPAC name of (Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine (CID 88906200) is (Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine.
What is the SMILES notation for (Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine?
The canonical SMILES for (Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine is C/C=N\N1C(N2CCNCC2)=Nc2cc(F)c(Br)cc2C1C.
What is the InChIKey of (Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine?
The InChIKey is PJJQGRKCCVETSS-OQOIWIOPSA-N. The full InChI is InChI=1S/C15H19BrFN5/c1-3-19-22-10(2)11-8-12(16)13(17)9-14(11)20-15(22)21-6-4-18-5-7-21/h3,8-10,18H,4-7H2,1-2H3/b19-3-.
What are the key properties of (Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine?
(Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine has a molecular weight of 368.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(6-bromo-7-fluoro-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)ethanimine is sourced from PubChem (CID 88906200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).