[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine

C23H25ClN4 — CID 69149009

IUPAC[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine
SMILESCc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(C3CCCCC3NN)c2c1
InChIInChI=1S/C23H25ClN4/c1-15-6-12-20-19(14-15)23(18-4-2-3-5-21(18)28-25)27-22(26-20)13-9-16-7-10-17(24)11-8-16/h6-14,18,21,28H,2-5,25H2,1H3/b13-9+
InChIKeyMTVZRGOARRFTDE-UKTHLTGXSA-N
MW392.93 g/mol
LogP5.25
Rot. Bonds4

About [2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine

[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine (PubChem CID 69149009) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is [2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine.

Molecular Properties

Compound Name[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine
PubChem CID69149009
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC Name[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine
SMILESCc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(C3CCCCC3NN)c2c1
InChIInChI=1S/C23H25ClN4/c1-15-6-12-20-19(14-15)23(18-4-2-3-5-21(18)28-25)27-22(26-20)13-9-16-7-10-17(24)11-8-16/h6-14,18,21,28H,2-5,25H2,1H3/b13-9+
InChIKeyMTVZRGOARRFTDE-UKTHLTGXSA-N
XLogP5.25
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine?
The IUPAC name of [2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine (CID 69149009) is [2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine.
What is the SMILES notation for [2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine?
The canonical SMILES for [2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine is Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(C3CCCCC3NN)c2c1.
What is the InChIKey of [2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine?
The InChIKey is MTVZRGOARRFTDE-UKTHLTGXSA-N. The full InChI is InChI=1S/C23H25ClN4/c1-15-6-12-20-19(14-15)23(18-4-2-3-5-21(18)28-25)27-22(26-20)13-9-16-7-10-17(24)11-8-16/h6-14,18,21,28H,2-5,25H2,1H3/b13-9+.
What are the key properties of [2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine?
[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine has a molecular weight of 392.93 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl]cyclohexyl]hydrazine is sourced from PubChem (CID 69149009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).