N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide

C24H14F2N4O2 — CID 135758933

IUPACN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C24H14F2N4O2/c25-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-19(16)27-21)23(31)30-29-22-18-11-15(26)9-10-20(18)28-24(22)32/h1-12,28,32H/b30-29+
InChIKeyLFHSJLXMLWNRMZ-QVIHXGFCSA-N
MW428.40 g/mol
LogP6.29
Rot. Bonds3

About N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 135758933) has the molecular formula C24H14F2N4O2 and a molecular weight of 428.40 g/mol. Its IUPAC name is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID135758933
Molecular FormulaC24H14F2N4O2
Molecular Weight428.40 g/mol
Exact Mass428.11
IUPAC NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESO=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C24H14F2N4O2/c25-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-19(16)27-21)23(31)30-29-22-18-11-15(26)9-10-20(18)28-24(22)32/h1-12,28,32H/b30-29+
InChIKeyLFHSJLXMLWNRMZ-QVIHXGFCSA-N
XLogP6.29
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.40
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-phenylquinoline-4-carboxamide
CID 135755055
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135758877
2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 135758928
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide
CID 3347736
2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 878835
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 1373160
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
3-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 135784571
N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
CID 821634
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]naphthalene-1-carboxamide
CID 135647538
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 135758945
6-fluoro-2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7452999

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 135758933) is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide is O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is LFHSJLXMLWNRMZ-QVIHXGFCSA-N. The full InChI is InChI=1S/C24H14F2N4O2/c25-14-7-5-13(6-8-14)21-12-17(16-3-1-2-4-19(16)27-21)23(31)30-29-22-18-11-15(26)9-10-20(18)28-24(22)32/h1-12,28,32H/b30-29+.
What are the key properties of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 428.40 g/mol, XLogP of 6.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 135758933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).