3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide

C24H27Br2N3O3 — CID 50869708

IUPAC3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
SMILESCCCN1c2cc(OC)c(/C=N\NC(=O)c3cc(Br)cc(Br)c3O)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H27Br2N3O3/c1-6-7-29-20-11-21(32-5)15(8-17(20)14(2)12-24(29,3)4)13-27-28-23(31)18-9-16(25)10-19(26)22(18)30/h8-13,30H,6-7H2,1-5H3,(H,28,31)/b27-13-
InChIKeyJIBQMOKKAIQNSL-WKIKZPBSSA-N
MW565.31 g/mol
LogP6.10
Rot. Bonds6

About 3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide

3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide (PubChem CID 50869708) has the molecular formula C24H27Br2N3O3 and a molecular weight of 565.31 g/mol. Its IUPAC name is 3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
PubChem CID50869708
Molecular FormulaC24H27Br2N3O3
Molecular Weight565.31 g/mol
Exact Mass563.04
IUPAC Name3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
SMILESCCCN1c2cc(OC)c(/C=N\NC(=O)c3cc(Br)cc(Br)c3O)cc2C(C)=CC1(C)C
InChIInChI=1S/C24H27Br2N3O3/c1-6-7-29-20-11-21(32-5)15(8-17(20)14(2)12-24(29,3)4)13-27-28-23(31)18-9-16(25)10-19(26)22(18)30/h8-13,30H,6-7H2,1-5H3,(H,28,31)/b27-13-
InChIKeyJIBQMOKKAIQNSL-WKIKZPBSSA-N
XLogP6.10
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.31
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50865756
5-bromo-2-methoxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868736
2-(2,4-dibromophenoxy)-N-[(E)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide
CID 50869701
3,5-dibromo-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-hydroxybenzamide
CID 50869480
2-methoxy-4-methyl-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868728
2-bromo-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50869011
N-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50869755
5,7-dibromo-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50868732
3-hydroxy-N-[(Z)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]naphthalene-2-carboxamide
CID 50868530
5,7-dibromo-N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 50868838
4-iodo-3-methoxy-N-[(E)-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzamide
CID 50868466
2-chloro-N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-4-methylbenzamide
CID 50869426

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
The IUPAC name of 3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide (CID 50869708) is 3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide.
What is the SMILES notation for 3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
The canonical SMILES for 3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide is CCCN1c2cc(OC)c(/C=N\NC(=O)c3cc(Br)cc(Br)c3O)cc2C(C)=CC1(C)C.
What is the InChIKey of 3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
The InChIKey is JIBQMOKKAIQNSL-WKIKZPBSSA-N. The full InChI is InChI=1S/C24H27Br2N3O3/c1-6-7-29-20-11-21(32-5)15(8-17(20)14(2)12-24(29,3)4)13-27-28-23(31)18-9-16(25)10-19(26)22(18)30/h8-13,30H,6-7H2,1-5H3,(H,28,31)/b27-13-.
What are the key properties of 3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide?
3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide has a molecular weight of 565.31 g/mol, XLogP of 6.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzamide is sourced from PubChem (CID 50869708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).