2-[(3-bromophenyl)iminomethyl]quinolin-8-ol

C16H11BrN2O — CID 172994191

IUPAC2-[(3-bromophenyl)iminomethyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=N/c3cccc(Br)c3)nc12
InChIInChI=1S/C16H11BrN2O/c17-12-4-2-5-13(9-12)18-10-14-8-7-11-3-1-6-15(20)16(11)19-14/h1-10,20H/b18-10+
InChIKeyOGIANRLYRKFENY-VCHYOVAHSA-N
MW327.18 g/mol
LogP4.45
Rot. Bonds2

About 2-[(3-bromophenyl)iminomethyl]quinolin-8-ol

2-[(3-bromophenyl)iminomethyl]quinolin-8-ol (PubChem CID 172994191) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 2-[(3-bromophenyl)iminomethyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(3-bromophenyl)iminomethyl]quinolin-8-ol
PubChem CID172994191
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name2-[(3-bromophenyl)iminomethyl]quinolin-8-ol
SMILESOc1cccc2ccc(/C=N/c3cccc(Br)c3)nc12
InChIInChI=1S/C16H11BrN2O/c17-12-4-2-5-13(9-12)18-10-14-8-7-11-3-1-6-15(20)16(11)19-14/h1-10,20H/b18-10+
InChIKeyOGIANRLYRKFENY-VCHYOVAHSA-N
XLogP4.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
CID 136777396
2-[(Z)-2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 136765269
4-[(3-bromophenyl)iminomethyl]phenol
CID 868394
2,4-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
4,6-bis[N-(3-bromophenyl)-C-methylcarbonimidoyl]benzene-1,3-diol;copper;bis(1,10-phenanthroline)
CID 137242169
2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol
CID 135500758
3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
CID 135544812
N-phenyl-1-quinolin-2-ylmethanimine
CID 13120185
N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine
CID 21130230
4-[(8-hydroxyquinolin-2-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 137274143
2-[2-(3-chlorophenyl)ethenyl]quinolin-8-ol
CID 71412917

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)iminomethyl]quinolin-8-ol?
The IUPAC name of 2-[(3-bromophenyl)iminomethyl]quinolin-8-ol (CID 172994191) is 2-[(3-bromophenyl)iminomethyl]quinolin-8-ol.
What is the SMILES notation for 2-[(3-bromophenyl)iminomethyl]quinolin-8-ol?
The canonical SMILES for 2-[(3-bromophenyl)iminomethyl]quinolin-8-ol is Oc1cccc2ccc(/C=N/c3cccc(Br)c3)nc12.
What is the InChIKey of 2-[(3-bromophenyl)iminomethyl]quinolin-8-ol?
The InChIKey is OGIANRLYRKFENY-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-12-4-2-5-13(9-12)18-10-14-8-7-11-3-1-6-15(20)16(11)19-14/h1-10,20H/b18-10+.
What are the key properties of 2-[(3-bromophenyl)iminomethyl]quinolin-8-ol?
2-[(3-bromophenyl)iminomethyl]quinolin-8-ol has a molecular weight of 327.18 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)iminomethyl]quinolin-8-ol is sourced from PubChem (CID 172994191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).