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

C18H18N4 — CID 16747364

IUPAC2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
SMILESC/C(=N/Nc1nc(C)nc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C18H18N4/c1-12-8-10-15(11-9-12)13(2)21-22-18-16-6-4-5-7-17(16)19-14(3)20-18/h4-11H,1-3H3,(H,19,20,22)/b21-13-
InChIKeyUAMCEUHYYBIZAI-BKUYFWCQSA-N
MW290.37 g/mol
LogP4.08
Rot. Bonds3

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

2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine (PubChem CID 16747364) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
PubChem CID16747364
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
SMILESC/C(=N/Nc1nc(C)nc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C18H18N4/c1-12-8-10-15(11-9-12)13(2)21-22-18-16-6-4-5-7-17(16)19-14(3)20-18/h4-11H,1-3H3,(H,19,20,22)/b21-13-
InChIKeyUAMCEUHYYBIZAI-BKUYFWCQSA-N
XLogP4.08
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.08
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

N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-2-methylquinazolin-4-amine
CID 59846655
2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 2848406
N-[1-(4-methylphenyl)ethylideneamino]phthalazin-1-amine
CID 6795077
N-[(E)-1-(4-methylphenyl)ethylideneamino]phthalazin-1-amine
CID 16553558
N-[(Z)-1-phenylethylideneamino]quinazolin-4-amine
CID 7272632
4-[(Z)-C-methyl-N-(quinazolin-4-ylamino)carbonimidoyl]phenol
CID 135877631
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine
CID 3810080
N-(2-methylquinazolin-4-yl)acetamide
CID 13329017
4-methyl-N-[(E)-1-phenylethylideneamino]quinolin-2-amine
CID 15352710
2-methyl-4-N-[1-[4-(methylamino)phenyl]ethylideneamino]-6-phenylpyrimidine-4,5-diamine
CID 72577513
3-hydroxy-2-[2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 4888440
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylpyrimidin-4-amine
CID 5332898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine?
The IUPAC name of 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine (CID 16747364) is 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine is C/C(=N/Nc1nc(C)nc2ccccc12)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine?
The InChIKey is UAMCEUHYYBIZAI-BKUYFWCQSA-N. The full InChI is InChI=1S/C18H18N4/c1-12-8-10-15(11-9-12)13(2)21-22-18-16-6-4-5-7-17(16)19-14(3)20-18/h4-11H,1-3H3,(H,19,20,22)/b21-13-.
What are the key properties of 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine?
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine is sourced from PubChem (CID 16747364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).