2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol

C17H13BrN2O — CID 4191930

IUPAC2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/c2ccc(Br)c3cccnc23)c1
InChIInChI=1S/C17H13BrN2O/c1-11-4-7-16(21)12(9-11)10-20-15-6-5-14(18)13-3-2-8-19-17(13)15/h2-10,21H,1H3/b20-10+
InChIKeyAHKSPTSPINBUMP-KEBDBYFISA-N
MW341.21 g/mol
LogP4.76
Rot. Bonds2

About 2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol

2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol (PubChem CID 4191930) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol
PubChem CID4191930
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol
SMILESCc1ccc(O)c(/C=N/c2ccc(Br)c3cccnc23)c1
InChIInChI=1S/C17H13BrN2O/c1-11-4-7-16(21)12(9-11)10-20-15-6-5-14(18)13-3-2-8-19-17(13)15/h2-10,21H,1H3/b20-10+
InChIKeyAHKSPTSPINBUMP-KEBDBYFISA-N
XLogP4.76
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol?
The IUPAC name of 2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol (CID 4191930) is 2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol.
What is the SMILES notation for 2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol?
The canonical SMILES for 2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol is Cc1ccc(O)c(/C=N/c2ccc(Br)c3cccnc23)c1.
What is the InChIKey of 2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol?
The InChIKey is AHKSPTSPINBUMP-KEBDBYFISA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-4-7-16(21)12(9-11)10-20-15-6-5-14(18)13-3-2-8-19-17(13)15/h2-10,21H,1H3/b20-10+.
What are the key properties of 2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol?
2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol has a molecular weight of 341.21 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol is sourced from PubChem (CID 4191930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).