(Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine

C16H21ClFN5 — CID 88906241

IUPAC(Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine
SMILESC/C=N\N1C(N2CCN(C)CC2)=Nc2ccc(Cl)c(F)c2C1C
InChIInChI=1S/C16H21ClFN5/c1-4-19-23-11(2)14-13(6-5-12(17)15(14)18)20-16(23)22-9-7-21(3)8-10-22/h4-6,11H,7-10H2,1-3H3/b19-4-
InChIKeyYWGXIKVTHUZAHX-PVOVUMCXSA-N
MW337.83 g/mol
LogP3.10
Rot. Bonds1

About (Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine

(Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine (PubChem CID 88906241) has the molecular formula C16H21ClFN5 and a molecular weight of 337.83 g/mol. Its IUPAC name is (Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine
PubChem CID88906241
Molecular FormulaC16H21ClFN5
Molecular Weight337.83 g/mol
Exact Mass337.15
IUPAC Name(Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine
SMILESC/C=N\N1C(N2CCN(C)CC2)=Nc2ccc(Cl)c(F)c2C1C
InChIInChI=1S/C16H21ClFN5/c1-4-19-23-11(2)14-13(6-5-12(17)15(14)18)20-16(23)22-9-7-21(3)8-10-22/h4-6,11H,7-10H2,1-3H3/b19-4-
InChIKeyYWGXIKVTHUZAHX-PVOVUMCXSA-N
XLogP3.10
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.10
H-Bond Donors ≤ 50
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-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine?
The IUPAC name of (Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine (CID 88906241) is (Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine.
What is the SMILES notation for (Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine?
The canonical SMILES for (Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine is C/C=N\N1C(N2CCN(C)CC2)=Nc2ccc(Cl)c(F)c2C1C.
What is the InChIKey of (Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine?
The InChIKey is YWGXIKVTHUZAHX-PVOVUMCXSA-N. The full InChI is InChI=1S/C16H21ClFN5/c1-4-19-23-11(2)14-13(6-5-12(17)15(14)18)20-16(23)22-9-7-21(3)8-10-22/h4-6,11H,7-10H2,1-3H3/b19-4-.
What are the key properties of (Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine?
(Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine has a molecular weight of 337.83 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[6-chloro-5-fluoro-4-methyl-2-(4-methylpiperazin-1-yl)-4H-quinazolin-3-yl]ethanimine is sourced from PubChem (CID 88906241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).