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

C25H17FN4O2 — CID 135758877

IUPACN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)c3ccccc3n2)cc1
InChIInChI=1S/C25H17FN4O2/c1-14-6-8-15(9-7-14)22-13-18(17-4-2-3-5-20(17)27-22)24(31)30-29-23-19-12-16(26)10-11-21(19)28-25(23)32/h2-13,28,32H,1H3/b30-29+
InChIKeyHCESBKVKKUHEFD-QVIHXGFCSA-N
MW424.44 g/mol
LogP6.46
Rot. Bonds3

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

N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 135758877) has the molecular formula C25H17FN4O2 and a molecular weight of 424.44 g/mol. Its IUPAC name is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID135758877
Molecular FormulaC25H17FN4O2
Molecular Weight424.44 g/mol
Exact Mass424.13
IUPAC NameN-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)c3ccccc3n2)cc1
InChIInChI=1S/C25H17FN4O2/c1-14-6-8-15(9-7-14)22-13-18(17-4-2-3-5-20(17)27-22)24(31)30-29-23-19-12-16(26)10-11-21(19)28-25(23)32/h2-13,28,32H,1H3/b30-29+
InChIKeyHCESBKVKKUHEFD-QVIHXGFCSA-N
XLogP6.46
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.44
LogP ≤ 56.46
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide (CID 135758877) is N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccc(F)cc34)c3ccccc3n2)cc1.
What is the InChIKey of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is HCESBKVKKUHEFD-QVIHXGFCSA-N. The full InChI is InChI=1S/C25H17FN4O2/c1-14-6-8-15(9-7-14)22-13-18(17-4-2-3-5-20(17)27-22)24(31)30-29-23-19-12-16(26)10-11-21(19)28-25(23)32/h2-13,28,32H,1H3/b30-29+.
What are the key properties of N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide?
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 424.44 g/mol, XLogP of 6.46, 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-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 135758877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).