2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide

C26H19FN4O2 — CID 135758928

IUPAC2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)c2c1
InChIInChI=1S/C26H19FN4O2/c1-14-11-15(2)23-20(12-14)24(26(33)29-23)30-31-25(32)19-13-22(16-7-9-17(27)10-8-16)28-21-6-4-3-5-18(19)21/h3-13,29,33H,1-2H3/b31-30+
InChIKeyXBBFGOXWTHDEFU-NVQSTNCTSA-N
MW438.46 g/mol
LogP6.77
Rot. Bonds3

About 2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide

2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide (PubChem CID 135758928) has the molecular formula C26H19FN4O2 and a molecular weight of 438.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide
PubChem CID135758928
Molecular FormulaC26H19FN4O2
Molecular Weight438.46 g/mol
Exact Mass438.15
IUPAC Name2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide
SMILESCc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)c2c1
InChIInChI=1S/C26H19FN4O2/c1-14-11-15(2)23-20(12-14)24(26(33)29-23)30-31-25(32)19-13-22(16-7-9-17(27)10-8-16)28-21-6-4-3-5-18(19)21/h3-13,29,33H,1-2H3/b31-30+
InChIKeyXBBFGOXWTHDEFU-NVQSTNCTSA-N
XLogP6.77
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 56.77
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-(4-methylphenyl)quinoline-4-carboxamide
CID 135758877
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 135758933
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-phenylquinoline-4-carboxamide
CID 135755055
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 788839
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide
CID 3347736
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 2319716
2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 55530881
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 878835
2-(4-bromophenyl)-N-(2-hydroxy-5-methyl-1-pentylindol-3-yl)iminoquinoline-4-carboxamide
CID 4502820
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 1381505

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide (CID 135758928) is 2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide is Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide?
The InChIKey is XBBFGOXWTHDEFU-NVQSTNCTSA-N. The full InChI is InChI=1S/C26H19FN4O2/c1-14-11-15(2)23-20(12-14)24(26(33)29-23)30-31-25(32)19-13-22(16-7-9-17(27)10-8-16)28-21-6-4-3-5-18(19)21/h3-13,29,33H,1-2H3/b31-30+.
What are the key properties of 2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide?
2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 6.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide is sourced from PubChem (CID 135758928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).