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

C20H16N4O2 — CID 878835

IUPAC2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide
SMILESCCc1cc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C20H16N4O2/c1-2-12-11-15(13-7-3-5-9-16(13)21-12)19(25)24-23-18-14-8-4-6-10-17(14)22-20(18)26/h3-11,22,26H,2H2,1H3/b24-23+
InChIKeyWRNHAFXCIDRYQQ-WCWDXBQESA-N
MW344.37 g/mol
LogP4.91
Rot. Bonds3

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

2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide (PubChem CID 878835) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide
PubChem CID878835
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide
SMILESCCc1cc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C20H16N4O2/c1-2-12-11-15(13-7-3-5-9-16(13)21-12)19(25)24-23-18-14-8-4-6-10-17(14)22-20(18)26/h3-11,22,26H,2H2,1H3/b24-23+
InChIKeyWRNHAFXCIDRYQQ-WCWDXBQESA-N
XLogP4.91
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.91
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
N-[(5,7-dibromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 2319716
N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
CID 821634
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
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135758877
2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 578620
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-iodobenzamide
CID 615744
4-benzoyl-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 2309926
3-bromo-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 749764
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide?
The IUPAC name of 2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide (CID 878835) is 2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide is CCc1cc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)c2ccccc2n1.
What is the InChIKey of 2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide?
The InChIKey is WRNHAFXCIDRYQQ-WCWDXBQESA-N. The full InChI is InChI=1S/C20H16N4O2/c1-2-12-11-15(13-7-3-5-9-16(13)21-12)19(25)24-23-18-14-8-4-6-10-17(14)22-20(18)26/h3-11,22,26H,2H2,1H3/b24-23+.
What are the key properties of 2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide?
2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-4-carboxamide is sourced from PubChem (CID 878835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).