N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine

C18H18N4O — CID 59846655

IUPACN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
SMILESCOc1ccc(/C(C)=N/Nc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H18N4O/c1-12(14-8-10-15(23-3)11-9-14)21-22-18-16-6-4-5-7-17(16)19-13(2)20-18/h4-11H,1-3H3,(H,19,20,22)/b21-12+
InChIKeyOXBDCVQYXBLXPF-CIAFOILYSA-N
MW306.37 g/mol
LogP3.78
Rot. Bonds4

About N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine

N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine (PubChem CID 59846655) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
PubChem CID59846655
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
SMILESCOc1ccc(/C(C)=N/Nc2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C18H18N4O/c1-12(14-8-10-15(23-3)11-9-14)21-22-18-16-6-4-5-7-17(16)19-13(2)20-18/h4-11H,1-3H3,(H,19,20,22)/b21-12+
InChIKeyOXBDCVQYXBLXPF-CIAFOILYSA-N
XLogP3.78
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 16747364
2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 2848406
N-[(Z)-1-phenylethylideneamino]quinazolin-4-amine
CID 7272632
5-methoxy-2-[(E)-C-methyl-N-[[2-(trifluoromethyl)quinazolin-4-yl]amino]carbonimidoyl]phenol
CID 135846545
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 8982089
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
CID 6062421
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine
CID 3810080
2-chloro-N-[1-(4-methoxyphenyl)ethylideneamino]aniline
CID 84921584
N-(2-methylquinazolin-4-yl)acetamide
CID 13329017
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
5-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 2791370
4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
CID 15352710

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine?
The IUPAC name of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine (CID 59846655) is N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine.
What is the SMILES notation for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine?
The canonical SMILES for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine is COc1ccc(/C(C)=N/Nc2nc(C)nc3ccccc23)cc1.
What is the InChIKey of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine?
The InChIKey is OXBDCVQYXBLXPF-CIAFOILYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12(14-8-10-15(23-3)11-9-14)21-22-18-16-6-4-5-7-17(16)19-13(2)20-18/h4-11H,1-3H3,(H,19,20,22)/b21-12+.
What are the key properties of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine?
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine has a molecular weight of 306.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine is sourced from PubChem (CID 59846655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).