N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide

C27H22FN5O2 — CID 155563806

IUPACN-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1cn(C2CC2)c2cc(N/N=C/c3ccccc3)c(F)cc2c1=O
InChIInChI=1S/C27H22FN5O2/c28-23-13-21-25(14-24(23)31-29-15-18-7-3-1-4-8-18)33(20-11-12-20)17-22(26(21)34)27(35)32-30-16-19-9-5-2-6-10-19/h1-10,13-17,20,31H,11-12H2,(H,32,35)/b29-15+,30-16+
InChIKeyODRNTEPZCMNXGB-CMNXJCJSSA-N
MW467.50 g/mol
LogP4.69
Rot. Bonds7

About N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide

N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide (PubChem CID 155563806) has the molecular formula C27H22FN5O2 and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
PubChem CID155563806
Molecular FormulaC27H22FN5O2
Molecular Weight467.50 g/mol
Exact Mass467.18
IUPAC NameN-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1cn(C2CC2)c2cc(N/N=C/c3ccccc3)c(F)cc2c1=O
InChIInChI=1S/C27H22FN5O2/c28-23-13-21-25(14-24(23)31-29-15-18-7-3-1-4-8-18)33(20-11-12-20)17-22(26(21)34)27(35)32-30-16-19-9-5-2-6-10-19/h1-10,13-17,20,31H,11-12H2,(H,32,35)/b29-15+,30-16+
InChIKeyODRNTEPZCMNXGB-CMNXJCJSSA-N
XLogP4.69
TPSA87.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

7-(Cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
CID 718467
1-cyclopropyl-6-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]-7-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
CID 155513776
1-ethyl-6-fluoro-N'-[1-(4-fluorophenyl)ethylidene]-4-oxo-7-(1-pyrrolidinyl)-1,4-dihydro-3-quinolinecarbohydrazide
CID 6859721
7-(4-Benzoylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carbohydrazide (5b)
CID 126842395
7-(4-((4-((E)-3-(Phenylacryloyl)phenylcarbamoyl)methyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carbohydrazide (5d)
CID 126842397
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[4-[[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]anilino]benzamide
CID 46934824
N-[(E)-(4-chlorophenyl)methylideneamino]-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 56601262
8-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]-4-oxo-1H-quinoline-3-carboxamide
CID 127052404
1-ethyl-6-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 156012813
1-ethyl-6-fluoro-N-[(E)-(4-nitrophenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 156015066
1-cyclopropyl-6-fluoro-N-[(E)-(4-nitrophenyl)methylideneamino]-7-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
CID 156017024
N-[(E)-(4-chlorophenyl)methylideneamino]-7-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 156017173

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide (CID 155563806) is N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide is O=C(N/N=C/c1ccccc1)c1cn(C2CC2)c2cc(N/N=C/c3ccccc3)c(F)cc2c1=O.
What is the InChIKey of N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide?
The InChIKey is ODRNTEPZCMNXGB-CMNXJCJSSA-N. The full InChI is InChI=1S/C27H22FN5O2/c28-23-13-21-25(14-24(23)31-29-15-18-7-3-1-4-8-18)33(20-11-12-20)17-22(26(21)34)27(35)32-30-16-19-9-5-2-6-10-19/h1-10,13-17,20,31H,11-12H2,(H,32,35)/b29-15+,30-16+.
What are the key properties of N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide?
N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide has a molecular weight of 467.50 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-7-[(2E)-2-benzylidenehydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 155563806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).