4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine

C17H19N5O3 — CID 69016736

IUPAC4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine
SMILESCOc1cc(-c2ccc3nc(N)nc(NN)c3c2)cc(OC)c1OC
InChIInChI=1S/C17H19N5O3/c1-23-13-7-10(8-14(24-2)15(13)25-3)9-4-5-12-11(6-9)16(22-19)21-17(18)20-12/h4-8H,19H2,1-3H3,(H3,18,20,21,22)
InChIKeyGWPSKWPHOFGKED-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.19
Rot. Bonds5

About 4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine

4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine (PubChem CID 69016736) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine
PubChem CID69016736
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine
SMILESCOc1cc(-c2ccc3nc(N)nc(NN)c3c2)cc(OC)c1OC
InChIInChI=1S/C17H19N5O3/c1-23-13-7-10(8-14(24-2)15(13)25-3)9-4-5-12-11(6-9)16(22-19)21-17(18)20-12/h4-8H,19H2,1-3H3,(H3,18,20,21,22)
InChIKeyGWPSKWPHOFGKED-UHFFFAOYSA-N
XLogP2.19
TPSA117.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine?
The IUPAC name of 4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine (CID 69016736) is 4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine is COc1cc(-c2ccc3nc(N)nc(NN)c3c2)cc(OC)c1OC.
What is the InChIKey of 4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine?
The InChIKey is GWPSKWPHOFGKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-23-13-7-10(8-14(24-2)15(13)25-3)9-4-5-12-11(6-9)16(22-19)21-17(18)20-12/h4-8H,19H2,1-3H3,(H3,18,20,21,22).
What are the key properties of 4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine?
4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine has a molecular weight of 341.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-(3,4,5-trimethoxyphenyl)quinazolin-2-amine is sourced from PubChem (CID 69016736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).