N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide

C25H16Br2N4O2 — CID 3347736

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)/N=N/c3c(O)[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C25H16Br2N4O2/c1-13-2-8-20-17(10-13)18(12-22(28-20)14-3-5-15(26)6-4-14)24(32)31-30-23-19-11-16(27)7-9-21(19)29-25(23)33/h2-12,29,33H,1H3/b31-30+
InChIKeyHEKGVWSUDPPNOO-NVQSTNCTSA-N
MW564.24 g/mol
LogP7.85
Rot. Bonds3

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide (PubChem CID 3347736) has the molecular formula C25H16Br2N4O2 and a molecular weight of 564.24 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide
PubChem CID3347736
Molecular FormulaC25H16Br2N4O2
Molecular Weight564.24 g/mol
Exact Mass561.96
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)/N=N/c3c(O)[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C25H16Br2N4O2/c1-13-2-8-20-17(10-13)18(12-22(28-20)14-3-5-15(26)6-4-14)24(32)31-30-23-19-11-16(27)7-9-21(19)29-25(23)33/h2-12,29,33H,1H3/b31-30+
InChIKeyHEKGVWSUDPPNOO-NVQSTNCTSA-N
XLogP7.85
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.24
LogP ≤ 57.85
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
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-ethylquinoline-4-carboxamide
CID 1373160
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-6-(2-hydroxyphenyl)-2-methylpyridine-3-carboxamide
CID 171365021
2-N,4-N-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3,5-dimethyl-1H-pyrrole-2,4-dicarboxamide
CID 137226370
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
2-(4-fluorophenyl)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]quinoline-4-carboxamide
CID 135758928
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-[(4-methylbenzoyl)amino]benzamide
CID 136961535
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
2-(4-bromophenyl)-N-(2-hydroxy-5-methyl-1-pentylindol-3-yl)iminoquinoline-4-carboxamide
CID 4502820

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide (CID 3347736) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)/N=N/c3c(O)[nH]c4ccc(Br)cc34)c2c1.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide?
The InChIKey is HEKGVWSUDPPNOO-NVQSTNCTSA-N. The full InChI is InChI=1S/C25H16Br2N4O2/c1-13-2-8-20-17(10-13)18(12-22(28-20)14-3-5-15(26)6-4-14)24(32)31-30-23-19-11-16(27)7-9-21(19)29-25(23)33/h2-12,29,33H,1H3/b31-30+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromophenyl)-6-methylquinoline-4-carboxamide has a molecular weight of 564.24 g/mol, XLogP of 7.85, 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-(4-bromophenyl)-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 3347736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).