6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine

C23H18BrN3O — CID 3714888

IUPAC6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine
SMILESCOc1ccc(C=NNc2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C23H18BrN3O/c1-28-19-10-7-16(8-11-19)15-25-27-23-14-20(17-5-3-2-4-6-17)21-13-18(24)9-12-22(21)26-23/h2-15H,1H3,(H,26,27)
InChIKeyZTVRELBHROLSIO-UHFFFAOYSA-N
MW432.32 g/mol
LogP6.12
Rot. Bonds5

About 6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine

6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine (PubChem CID 3714888) has the molecular formula C23H18BrN3O and a molecular weight of 432.32 g/mol. Its IUPAC name is 6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine
PubChem CID3714888
Molecular FormulaC23H18BrN3O
Molecular Weight432.32 g/mol
Exact Mass431.06
IUPAC Name6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine
SMILESCOc1ccc(C=NNc2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C23H18BrN3O/c1-28-19-10-7-16(8-11-19)15-25-27-23-14-20(17-5-3-2-4-6-17)21-13-18(24)9-12-22(21)26-23/h2-15H,1H3,(H,26,27)
InChIKeyZTVRELBHROLSIO-UHFFFAOYSA-N
XLogP6.12
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.32
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-bromo-N-(furan-2-ylmethylideneamino)-4-phenylquinolin-2-amine
CID 3328519
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
N-[(E)-(4-bromophenyl)methylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 5338896
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine
CID 3590309
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine
CID 44537075
10-bromo-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methyl-4-phenyl-[1,2,4]triazino[2,3-c]quinazolin-3-amine
CID 10673027
2-[4-(6-chloro-4-phenylquinolin-2-yl)phenoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6883884
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
6-bromo-N-[(E)-(4-butoxyphenyl)methylideneamino]-2-methylquinolin-4-amine
CID 155927940
4-(4-methoxyphenyl)-6-methyl-N-phenylquinolin-2-amine
CID 139231045

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine?
The IUPAC name of 6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine (CID 3714888) is 6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine.
What is the SMILES notation for 6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine?
The canonical SMILES for 6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine is COc1ccc(C=NNc2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine?
The InChIKey is ZTVRELBHROLSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O/c1-28-19-10-7-16(8-11-19)15-25-27-23-14-20(17-5-3-2-4-6-17)21-13-18(24)9-12-22(21)26-23/h2-15H,1H3,(H,26,27).
What are the key properties of 6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine?
6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine has a molecular weight of 432.32 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-methoxyphenyl)methylideneamino]-4-phenylquinolin-2-amine is sourced from PubChem (CID 3714888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).