5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol

C18H17BrN2O2 — CID 131987078

IUPAC5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol
SMILESCOc1ccc(CNCc2cc(Br)c3cccnc3c2O)cc1
InChIInChI=1S/C18H17BrN2O2/c1-23-14-6-4-12(5-7-14)10-20-11-13-9-16(19)15-3-2-8-21-17(15)18(13)22/h2-9,20,22H,10-11H2,1H3
InChIKeyXMBZVESNVNDXLJ-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.00
Rot. Bonds5

About 5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol

5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol (PubChem CID 131987078) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol
PubChem CID131987078
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol
SMILESCOc1ccc(CNCc2cc(Br)c3cccnc3c2O)cc1
InChIInChI=1S/C18H17BrN2O2/c1-23-14-6-4-12(5-7-14)10-20-11-13-9-16(19)15-3-2-8-21-17(15)18(13)22/h2-9,20,22H,10-11H2,1H3
InChIKeyXMBZVESNVNDXLJ-UHFFFAOYSA-N
XLogP4.00
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-7-[[(2,4-dimethoxyphenyl)methylamino]methyl]quinolin-8-ol
CID 131987068
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040
5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol
CID 161006379
3-[[(4-methoxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 61318048
7-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-nitroquinolin-8-ol
CID 131987064
7-bromo-5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 171541814
5,7-dibromo-8-methoxyquinoline
CID 10805403
N-[(2,6-dibromo-4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;ethane
CID 142156026
5-bromo-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4148781
2-bromo-6-[[2-(4-methoxyphenyl)ethylamino]methyl]phenol
CID 61390265
5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
CID 18830094

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol?
The IUPAC name of 5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol (CID 131987078) is 5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol.
What is the SMILES notation for 5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol?
The canonical SMILES for 5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol is COc1ccc(CNCc2cc(Br)c3cccnc3c2O)cc1.
What is the InChIKey of 5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol?
The InChIKey is XMBZVESNVNDXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-23-14-6-4-12(5-7-14)10-20-11-13-9-16(19)15-3-2-8-21-17(15)18(13)22/h2-9,20,22H,10-11H2,1H3.
What are the key properties of 5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol?
5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol has a molecular weight of 373.25 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[[(4-methoxyphenyl)methylamino]methyl]quinolin-8-ol is sourced from PubChem (CID 131987078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).