1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide

C26H22FN5O4 — CID 135722709

IUPAC1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)N/N=C/c2ccc(O)cc2)c(=O)c2cc(F)c(N/N=C/c3ccc(O)cc3)cc21
InChIInChI=1S/C26H22FN5O4/c1-2-32-15-21(26(36)31-29-14-17-5-9-19(34)10-6-17)25(35)20-11-22(27)23(12-24(20)32)30-28-13-16-3-7-18(33)8-4-16/h3-15,30,33-34H,2H2,1H3,(H,31,36)/b28-13+,29-14+
InChIKeyNTKABZMUKATFJP-JOFLXYQRSA-N
MW487.49 g/mol
LogP3.78
Rot. Bonds7

About 1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide

1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide (PubChem CID 135722709) has the molecular formula C26H22FN5O4 and a molecular weight of 487.49 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
PubChem CID135722709
Molecular FormulaC26H22FN5O4
Molecular Weight487.49 g/mol
Exact Mass487.17
IUPAC Name1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)N/N=C/c2ccc(O)cc2)c(=O)c2cc(F)c(N/N=C/c3ccc(O)cc3)cc21
InChIInChI=1S/C26H22FN5O4/c1-2-32-15-21(26(36)31-29-14-17-5-9-19(34)10-6-17)25(35)20-11-22(27)23(12-24(20)32)30-28-13-16-3-7-18(33)8-4-16/h3-15,30,33-34H,2H2,1H3,(H,31,36)/b28-13+,29-14+
InChIKeyNTKABZMUKATFJP-JOFLXYQRSA-N
XLogP3.78
TPSA128.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3113821
7-chloro-1-ethyl-6-fluoro-4-oxo-N-[(E)-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]quinoline-3-carboxamide
CID 10873416
1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid
CID 23117845
1-(4-amino-2-fluorophenyl)-6-fluoro-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxylic acid
CID 71548630
1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide
CID 71597983
N-(4-bromo-2-fluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133617
N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133811
1-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523428
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide (CID 135722709) is 1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)N/N=C/c2ccc(O)cc2)c(=O)c2cc(F)c(N/N=C/c3ccc(O)cc3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is NTKABZMUKATFJP-JOFLXYQRSA-N. The full InChI is InChI=1S/C26H22FN5O4/c1-2-32-15-21(26(36)31-29-14-17-5-9-19(34)10-6-17)25(35)20-11-22(27)23(12-24(20)32)30-28-13-16-3-7-18(33)8-4-16/h3-15,30,33-34H,2H2,1H3,(H,31,36)/b28-13+,29-14+.
What are the key properties of 1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide?
1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 3.78, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 135722709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).