N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine

C18H25N5 — CID 88906184

IUPACN-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine
SMILESC=Cc1ccc2c(c1)C(C)N(N=C(C)C)C(N1CCNCC1)=N2
InChIInChI=1S/C18H25N5/c1-5-15-6-7-17-16(12-15)14(4)23(21-13(2)3)18(20-17)22-10-8-19-9-11-22/h5-7,12,14,19H,1,8-11H2,2-4H3
InChIKeyIQMUHFGHEJUJDL-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.99
Rot. Bonds2

About N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine

N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine (PubChem CID 88906184) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine.

Molecular Properties

Compound NameN-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine
PubChem CID88906184
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine
SMILESC=Cc1ccc2c(c1)C(C)N(N=C(C)C)C(N1CCNCC1)=N2
InChIInChI=1S/C18H25N5/c1-5-15-6-7-17-16(12-15)14(4)23(21-13(2)3)18(20-17)22-10-8-19-9-11-22/h5-7,12,14,19H,1,8-11H2,2-4H3
InChIKeyIQMUHFGHEJUJDL-UHFFFAOYSA-N
XLogP2.99
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.99
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 N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine?
The IUPAC name of N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine (CID 88906184) is N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine.
What is the SMILES notation for N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine?
The canonical SMILES for N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine is C=Cc1ccc2c(c1)C(C)N(N=C(C)C)C(N1CCNCC1)=N2.
What is the InChIKey of N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine?
The InChIKey is IQMUHFGHEJUJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-5-15-6-7-17-16(12-15)14(4)23(21-13(2)3)18(20-17)22-10-8-19-9-11-22/h5-7,12,14,19H,1,8-11H2,2-4H3.
What are the key properties of N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine?
N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine has a molecular weight of 311.43 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethenyl-4-methyl-2-piperazin-1-yl-4H-quinazolin-3-yl)propan-2-imine is sourced from PubChem (CID 88906184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).