methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate

C25H24FN5O6 — CID 69178674

IUPACmethyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)NN)CC2)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C25H24FN5O6/c1-37-25(36)19-12-18(23(34)30-6-8-31(9-7-30)24(35)22(33)29-27)17-11-15(13-28-20(17)21(19)32)10-14-2-4-16(26)5-3-14/h2-5,11-13,32H,6-10,27H2,1H3,(H,29,33)
InChIKeyHPTLEJHMKZJUGJ-UHFFFAOYSA-N
MW509.49 g/mol
LogP0.73
Rot. Bonds4

About methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate

methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate (PubChem CID 69178674) has the molecular formula C25H24FN5O6 and a molecular weight of 509.49 g/mol. Its IUPAC name is methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate
PubChem CID69178674
Molecular FormulaC25H24FN5O6
Molecular Weight509.49 g/mol
Exact Mass509.17
IUPAC Namemethyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)NN)CC2)c2cc(Cc3ccc(F)cc3)cnc2c1O
InChIInChI=1S/C25H24FN5O6/c1-37-25(36)19-12-18(23(34)30-6-8-31(9-7-30)24(35)22(33)29-27)17-11-15(13-28-20(17)21(19)32)10-14-2-4-16(26)5-3-14/h2-5,11-13,32H,6-10,27H2,1H3,(H,29,33)
InChIKeyHPTLEJHMKZJUGJ-UHFFFAOYSA-N
XLogP0.73
TPSA155.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.49
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate?
The IUPAC name of methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate (CID 69178674) is methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate.
What is the SMILES notation for methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate?
The canonical SMILES for methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate is COC(=O)c1cc(C(=O)N2CCN(C(=O)C(=O)NN)CC2)c2cc(Cc3ccc(F)cc3)cnc2c1O.
What is the InChIKey of methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate?
The InChIKey is HPTLEJHMKZJUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O6/c1-37-25(36)19-12-18(23(34)30-6-8-31(9-7-30)24(35)22(33)29-27)17-11-15(13-28-20(17)21(19)32)10-14-2-4-16(26)5-3-14/h2-5,11-13,32H,6-10,27H2,1H3,(H,29,33).
What are the key properties of methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate?
methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate has a molecular weight of 509.49 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorophenyl)methyl]-5-[4-(2-hydrazinyl-2-oxoacetyl)piperazine-1-carbonyl]-8-hydroxyquinoline-7-carboxylate is sourced from PubChem (CID 69178674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).