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

C20H15BrN4O2 — CID 1373160

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
SMILESCCc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)c2ccccc2n1
InChIInChI=1S/C20H15BrN4O2/c1-2-12-10-14(13-5-3-4-6-16(13)22-12)19(26)25-24-18-15-9-11(21)7-8-17(15)23-20(18)27/h3-10,23,27H,2H2,1H3/b25-24+
InChIKeyIZHZJXNBJPKYDR-OCOZRVBESA-N
MW423.27 g/mol
LogP5.67
Rot. Bonds3

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

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide (PubChem CID 1373160) has the molecular formula C20H15BrN4O2 and a molecular weight of 423.27 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
PubChem CID1373160
Molecular FormulaC20H15BrN4O2
Molecular Weight423.27 g/mol
Exact Mass422.04
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
SMILESCCc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)c2ccccc2n1
InChIInChI=1S/C20H15BrN4O2/c1-2-12-10-14(13-5-3-4-6-16(13)22-12)19(26)25-24-18-15-9-11(21)7-8-17(15)23-20(18)27/h3-10,23,27H,2H2,1H3/b25-24+
InChIKeyIZHZJXNBJPKYDR-OCOZRVBESA-N
XLogP5.67
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.27
LogP ≤ 55.67
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

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-ethylquinoline-4-carboxamide
CID 2319716
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-6-(2-hydroxyphenyl)-2-methylpyridine-3-carboxamide
CID 171365021
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide
CID 3347736
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
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
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 135816010
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 172653644
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
(2R)-2-benzylsulfanyl-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 137077951

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide (CID 1373160) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide is CCc1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)c2ccccc2n1.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide?
The InChIKey is IZHZJXNBJPKYDR-OCOZRVBESA-N. The full InChI is InChI=1S/C20H15BrN4O2/c1-2-12-10-14(13-5-3-4-6-16(13)22-12)19(26)25-24-18-15-9-11(21)7-8-17(15)23-20(18)27/h3-10,23,27H,2H2,1H3/b25-24+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide has a molecular weight of 423.27 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide is sourced from PubChem (CID 1373160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).