prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate

C22H25N7O2 — CID 143612063

IUPACprop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate
SMILESC=CCOC(=O)C1CNCCN1c1ccc(-c2ccc3nc(N)nc(NN)c3c2)cc1
InChIInChI=1S/C22H25N7O2/c1-2-11-31-21(30)19-13-25-9-10-29(19)16-6-3-14(4-7-16)15-5-8-18-17(12-15)20(28-24)27-22(23)26-18/h2-8,12,19,25H,1,9-11,13,24H2,(H3,23,26,27,28)
InChIKeyQANVRPZZJNCOFK-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.67
Rot. Bonds6

About prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate

prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate (PubChem CID 143612063) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate
PubChem CID143612063
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Nameprop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate
SMILESC=CCOC(=O)C1CNCCN1c1ccc(-c2ccc3nc(N)nc(NN)c3c2)cc1
InChIInChI=1S/C22H25N7O2/c1-2-11-31-21(30)19-13-25-9-10-29(19)16-6-3-14(4-7-16)15-5-8-18-17(12-15)20(28-24)27-22(23)26-18/h2-8,12,19,25H,1,9-11,13,24H2,(H3,23,26,27,28)
InChIKeyQANVRPZZJNCOFK-UHFFFAOYSA-N
XLogP1.67
TPSA131.42 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate?
The IUPAC name of prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate (CID 143612063) is prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate.
What is the SMILES notation for prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate?
The canonical SMILES for prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate is C=CCOC(=O)C1CNCCN1c1ccc(-c2ccc3nc(N)nc(NN)c3c2)cc1.
What is the InChIKey of prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate?
The InChIKey is QANVRPZZJNCOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-2-11-31-21(30)19-13-25-9-10-29(19)16-6-3-14(4-7-16)15-5-8-18-17(12-15)20(28-24)27-22(23)26-18/h2-8,12,19,25H,1,9-11,13,24H2,(H3,23,26,27,28).
What are the key properties of prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate?
prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate has a molecular weight of 419.49 g/mol, XLogP of 1.67, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1-[4-(2-amino-4-hydrazinylquinazolin-6-yl)phenyl]piperazine-2-carboxylate is sourced from PubChem (CID 143612063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).