3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide

C19H22N6O — CID 69014106

IUPAC3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc3nc(N)nc(NN)c3c2)c1
InChIInChI=1S/C19H22N6O/c1-3-25(4-2)18(26)14-7-5-6-12(10-14)13-8-9-16-15(11-13)17(24-21)23-19(20)22-16/h5-11H,3-4,21H2,1-2H3,(H3,20,22,23,24)
InChIKeyYNVZSKMSMRTOEW-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.65
Rot. Bonds5

About 3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide

3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide (PubChem CID 69014106) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide
PubChem CID69014106
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2ccc3nc(N)nc(NN)c3c2)c1
InChIInChI=1S/C19H22N6O/c1-3-25(4-2)18(26)14-7-5-6-12(10-14)13-8-9-16-15(11-13)17(24-21)23-19(20)22-16/h5-11H,3-4,21H2,1-2H3,(H3,20,22,23,24)
InChIKeyYNVZSKMSMRTOEW-UHFFFAOYSA-N
XLogP2.65
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide?
The IUPAC name of 3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide (CID 69014106) is 3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide.
What is the SMILES notation for 3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide?
The canonical SMILES for 3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(-c2ccc3nc(N)nc(NN)c3c2)c1.
What is the InChIKey of 3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide?
The InChIKey is YNVZSKMSMRTOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-3-25(4-2)18(26)14-7-5-6-12(10-14)13-8-9-16-15(11-13)17(24-21)23-19(20)22-16/h5-11H,3-4,21H2,1-2H3,(H3,20,22,23,24).
What are the key properties of 3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide?
3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide has a molecular weight of 350.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide is sourced from PubChem (CID 69014106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).