N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide

C21H24N4 — CID 71657295

IUPACN'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide
SMILESC/C(N)=N\Cc1cccc2c(-c3ccc(C(C)(C)C)cc3)ncnc12
InChIInChI=1S/C21H24N4/c1-14(22)23-12-16-6-5-7-18-19(24-13-25-20(16)18)15-8-10-17(11-9-15)21(2,3)4/h5-11,13H,12H2,1-4H3,(H2,22,23)
InChIKeyQCIYYUKNPNVICH-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.47
Rot. Bonds3

About N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide

N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide (PubChem CID 71657295) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide
PubChem CID71657295
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC NameN'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide
SMILESC/C(N)=N\Cc1cccc2c(-c3ccc(C(C)(C)C)cc3)ncnc12
InChIInChI=1S/C21H24N4/c1-14(22)23-12-16-6-5-7-18-19(24-13-25-20(16)18)15-8-10-17(11-9-15)21(2,3)4/h5-11,13H,12H2,1-4H3,(H2,22,23)
InChIKeyQCIYYUKNPNVICH-UHFFFAOYSA-N
XLogP4.47
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide?
The IUPAC name of N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide (CID 71657295) is N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide.
What is the SMILES notation for N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide?
The canonical SMILES for N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide is C/C(N)=N\Cc1cccc2c(-c3ccc(C(C)(C)C)cc3)ncnc12.
What is the InChIKey of N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide?
The InChIKey is QCIYYUKNPNVICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-14(22)23-12-16-6-5-7-18-19(24-13-25-20(16)18)15-8-10-17(11-9-15)21(2,3)4/h5-11,13H,12H2,1-4H3,(H2,22,23).
What are the key properties of N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide?
N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide has a molecular weight of 332.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(4-tert-butylphenyl)quinazolin-8-yl]methyl]ethanimidamide is sourced from PubChem (CID 71657295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).