1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine

C19H22N6 — CID 156800681

IUPAC1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine
SMILES[H]/N=C(\CN(C)C)n1/c(=N/[H])nc(N(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H22N6/c1-23(2)13-17(20)25-16-12-8-7-11-15(16)18(22-19(25)21)24(3)14-9-5-4-6-10-14/h4-12,20-21H,13H2,1-3H3/b20-17+,21-19+
InChIKeyNYGOHGZDPFWMQG-MRHDUWADSA-N
MW334.43 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine

1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine (PubChem CID 156800681) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine
PubChem CID156800681
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine
SMILES[H]/N=C(\CN(C)C)n1/c(=N/[H])nc(N(C)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H22N6/c1-23(2)13-17(20)25-16-12-8-7-11-15(16)18(22-19(25)21)24(3)14-9-5-4-6-10-14/h4-12,20-21H,13H2,1-3H3/b20-17+,21-19+
InChIKeyNYGOHGZDPFWMQG-MRHDUWADSA-N
XLogP2.67
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine?
The IUPAC name of 1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine (CID 156800681) is 1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine is [H]/N=C(\CN(C)C)n1/c(=N/[H])nc(N(C)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine?
The InChIKey is NYGOHGZDPFWMQG-MRHDUWADSA-N. The full InChI is InChI=1S/C19H22N6/c1-23(2)13-17(20)25-16-12-8-7-11-15(16)18(22-19(25)21)24(3)14-9-5-4-6-10-14/h4-12,20-21H,13H2,1-3H3/b20-17+,21-19+.
What are the key properties of 1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine?
1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethanimidoyl]-2-imino-N-methyl-N-phenylquinazolin-4-amine is sourced from PubChem (CID 156800681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).