2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide

C26H19BrN4O3 — CID 4504338

IUPAC2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide
SMILESCOc1ccc2c(c1)c(/N=N/C(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)c(O)n2C
InChIInChI=1S/C26H19BrN4O3/c1-31-23-12-11-17(34-2)13-20(23)24(26(31)33)29-30-25(32)19-14-22(15-7-9-16(27)10-8-15)28-21-6-4-3-5-18(19)21/h3-14,33H,1-2H3/b30-29+
InChIKeyWUMJQIDQBYKPOB-QVIHXGFCSA-N
MW515.37 g/mol
LogP6.79
Rot. Bonds4

About 2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide

2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide (PubChem CID 4504338) has the molecular formula C26H19BrN4O3 and a molecular weight of 515.37 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide
PubChem CID4504338
Molecular FormulaC26H19BrN4O3
Molecular Weight515.37 g/mol
Exact Mass514.06
IUPAC Name2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide
SMILESCOc1ccc2c(c1)c(/N=N/C(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)c(O)n2C
InChIInChI=1S/C26H19BrN4O3/c1-31-23-12-11-17(34-2)13-20(23)24(26(31)33)29-30-25(32)19-14-22(15-7-9-16(27)10-8-15)28-21-6-4-3-5-18(19)21/h3-14,33H,1-2H3/b30-29+
InChIKeyWUMJQIDQBYKPOB-QVIHXGFCSA-N
XLogP6.79
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.37
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-bromophenyl)-N-(2-hydroxy-5-methyl-1-pentylindol-3-yl)iminoquinoline-4-carboxamide
CID 4502820
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4111073
4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide
CID 1035611
2-(4-bromophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955905
2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
CID 4505477
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
N-(5-bromo-2-hydroxy-1-methylindol-3-yl)imino-2-naphthalen-2-yloxyacetamide
CID 1377579
2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide
CID 135605727
(2,6-dimethoxyphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 2382181
2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide
CID 170903132

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide (CID 4504338) is 2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide is COc1ccc2c(c1)c(/N=N/C(=O)c1cc(-c3ccc(Br)cc3)nc3ccccc13)c(O)n2C.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide?
The InChIKey is WUMJQIDQBYKPOB-QVIHXGFCSA-N. The full InChI is InChI=1S/C26H19BrN4O3/c1-31-23-12-11-17(34-2)13-20(23)24(26(31)33)29-30-25(32)19-14-22(15-7-9-16(27)10-8-15)28-21-6-4-3-5-18(19)21/h3-14,33H,1-2H3/b30-29+.
What are the key properties of 2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide?
2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide has a molecular weight of 515.37 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoquinoline-4-carboxamide is sourced from PubChem (CID 4504338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).