N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide

C20H14Br2N4O2 — CID 2319716

IUPACN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
SMILESCCc1cc(C(=O)/N=N/c2c(O)[nH]c3c(Br)cc(Br)cc23)c2ccccc2n1
InChIInChI=1S/C20H14Br2N4O2/c1-2-11-9-13(12-5-3-4-6-16(12)23-11)19(27)26-25-18-14-7-10(21)8-15(22)17(14)24-20(18)28/h3-9,24,28H,2H2,1H3/b26-25+
InChIKeyIHCRICGUPAKIBD-OCEACIFDSA-N
MW502.17 g/mol
LogP6.43
Rot. Bonds3

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

N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide (PubChem CID 2319716) has the molecular formula C20H14Br2N4O2 and a molecular weight of 502.17 g/mol. Its IUPAC name is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
PubChem CID2319716
Molecular FormulaC20H14Br2N4O2
Molecular Weight502.17 g/mol
Exact Mass499.95
IUPAC NameN-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
SMILESCCc1cc(C(=O)/N=N/c2c(O)[nH]c3c(Br)cc(Br)cc23)c2ccccc2n1
InChIInChI=1S/C20H14Br2N4O2/c1-2-11-9-13(12-5-3-4-6-16(12)23-11)19(27)26-25-18-14-7-10(21)8-15(22)17(14)24-20(18)28/h3-9,24,28H,2H2,1H3/b26-25+
InChIKeyIHCRICGUPAKIBD-OCEACIFDSA-N
XLogP6.43
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.17
LogP ≤ 56.43
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-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 1373160
2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 878835
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 1381505
4-tert-butyl-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 4571048
N-[(2S)-1-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxopropan-2-yl]benzamide
CID 2322751
2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 135758928
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 1399782
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-3-nitrobenzamide
CID 3093249
5-bromo-N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-hydroxybenzamide
CID 4121796
N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-methylquinoline-3-carboxamide
CID 788839
2-(4-chlorophenoxy)-N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]pentanamide
CID 4634483
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135758877

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide?
The IUPAC name of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide (CID 2319716) is N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide?
The canonical SMILES for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide is CCc1cc(C(=O)/N=N/c2c(O)[nH]c3c(Br)cc(Br)cc23)c2ccccc2n1.
What is the InChIKey of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide?
The InChIKey is IHCRICGUPAKIBD-OCEACIFDSA-N. The full InChI is InChI=1S/C20H14Br2N4O2/c1-2-11-9-13(12-5-3-4-6-16(12)23-11)19(27)26-25-18-14-7-10(21)8-15(22)17(14)24-20(18)28/h3-9,24,28H,2H2,1H3/b26-25+.
What are the key properties of N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide?
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide has a molecular weight of 502.17 g/mol, XLogP of 6.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide is sourced from PubChem (CID 2319716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).