N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine

C24H23N5O — CID 53008666

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESC1=C(CCNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)CCCC1
InChIInChI=1S/C24H23N5O/c1-3-9-17(10-4-1)15-16-25-21-19-13-7-8-14-20(19)26-22(27-21)24-29-28-23(30-24)18-11-5-2-6-12-18/h2,5-9,11-14H,1,3-4,10,15-16H2,(H,25,26,27)
InChIKeyABZYWMGLSZLYIM-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.65
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (PubChem CID 53008666) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
PubChem CID53008666
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
SMILESC1=C(CCNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)CCCC1
InChIInChI=1S/C24H23N5O/c1-3-9-17(10-4-1)15-16-25-21-19-13-7-8-14-20(19)26-22(27-21)24-29-28-23(30-24)18-11-5-2-6-12-18/h2,5-9,11-14H,1,3-4,10,15-16H2,(H,25,26,27)
InChIKeyABZYWMGLSZLYIM-UHFFFAOYSA-N
XLogP5.65
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine (CID 53008666) is N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is C1=C(CCNc2nc(-c3nnc(-c4ccccc4)o3)nc3ccccc23)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
The InChIKey is ABZYWMGLSZLYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-3-9-17(10-4-1)15-16-25-21-19-13-7-8-14-20(19)26-22(27-21)24-29-28-23(30-24)18-11-5-2-6-12-18/h2,5-9,11-14H,1,3-4,10,15-16H2,(H,25,26,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine has a molecular weight of 397.48 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 53008666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).