2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine

C24H22N4 — CID 2848406

IUPAC2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
SMILESCC(=NNc1nc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C24H22N4/c1-16-8-12-19(13-9-16)18(3)27-28-24-21-6-4-5-7-22(21)25-23(26-24)20-14-10-17(2)11-15-20/h4-15H,1-3H3,(H,25,26,28)
InChIKeyUDHKSSJHEVTOSU-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.75
Rot. Bonds4

About 2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine

2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine (PubChem CID 2848406) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
PubChem CID2848406
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
SMILESCC(=NNc1nc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C24H22N4/c1-16-8-12-19(13-9-16)18(3)27-28-24-21-6-4-5-7-22(21)25-23(26-24)20-14-10-17(2)11-15-20/h4-15H,1-3H3,(H,25,26,28)
InChIKeyUDHKSSJHEVTOSU-UHFFFAOYSA-N
XLogP5.75
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
CID 59846655
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine
CID 3810080
N-[1-(4-methylphenyl)ethylideneamino]phthalazin-1-amine
CID 6795077
N-[(E)-1-(4-methylphenyl)ethylideneamino]phthalazin-1-amine
CID 16553558
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898
N-[(Z)-1-phenylethylideneamino]quinazolin-4-amine
CID 7272632
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol
CID 135877631

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine?
The IUPAC name of 2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine (CID 2848406) is 2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine is CC(=NNc1nc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine?
The InChIKey is UDHKSSJHEVTOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-16-8-12-19(13-9-16)18(3)27-28-24-21-6-4-5-7-22(21)25-23(26-24)20-14-10-17(2)11-15-20/h4-15H,1-3H3,(H,25,26,28).
What are the key properties of 2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine?
2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine is sourced from PubChem (CID 2848406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).