5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol

C19H19BrN2O3 — CID 131987068

IUPAC5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol
SMILESCOc1ccc(CNCc2cc(Br)c3cccnc3c2O)c(OC)c1
InChIInChI=1S/C19H19BrN2O3/c1-24-14-6-5-12(17(9-14)25-2)10-21-11-13-8-16(20)15-4-3-7-22-18(15)19(13)23/h3-9,21,23H,10-11H2,1-2H3
InChIKeyWEBNTNGNGVILCF-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.01
Rot. Bonds6

About 5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol

5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol (PubChem CID 131987068) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol
PubChem CID131987068
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol
SMILESCOc1ccc(CNCc2cc(Br)c3cccnc3c2O)c(OC)c1
InChIInChI=1S/C19H19BrN2O3/c1-24-14-6-5-12(17(9-14)25-2)10-21-11-13-8-16(20)15-4-3-7-22-18(15)19(13)23/h3-9,21,23H,10-11H2,1-2H3
InChIKeyWEBNTNGNGVILCF-UHFFFAOYSA-N
XLogP4.01
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol
CID 131987078
7-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-nitroquinolin-8-ol
CID 131987064
5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol
CID 161006379
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
CID 162772120
N-[7-[(2,4-dimethoxyphenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 58836665
4-[[(2,4-dimethoxyphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63880762
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
4-N-(3-bromo-2-methoxyphenyl)-2-N-[(2,4-dimethoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 178019484
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol?
The IUPAC name of 5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol (CID 131987068) is 5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol?
The canonical SMILES for 5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol is COc1ccc(CNCc2cc(Br)c3cccnc3c2O)c(OC)c1.
What is the InChIKey of 5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol?
The InChIKey is WEBNTNGNGVILCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-24-14-6-5-12(17(9-14)25-2)10-21-11-13-8-16(20)15-4-3-7-22-18(15)19(13)23/h3-9,21,23H,10-11H2,1-2H3.
What are the key properties of 5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol?
5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol has a molecular weight of 403.28 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol is sourced from PubChem (CID 131987068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).