4-[(5-bromoquinolin-8-yl)methylamino]phenol

C16H13BrN2O — CID 115959175

IUPAC4-[(5-bromoquinolin-8-yl)methylamino]phenol
SMILESOc1ccc(NCc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C16H13BrN2O/c17-15-8-3-11(16-14(15)2-1-9-18-16)10-19-12-4-6-13(20)7-5-12/h1-9,19-20H,10H2
InChIKeyGSJBQCIAOXIUDU-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.32
Rot. Bonds3

About 4-[(5-bromoquinolin-8-yl)methylamino]phenol

4-[(5-bromoquinolin-8-yl)methylamino]phenol (PubChem CID 115959175) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-[(5-bromoquinolin-8-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(5-bromoquinolin-8-yl)methylamino]phenol
PubChem CID115959175
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name4-[(5-bromoquinolin-8-yl)methylamino]phenol
SMILESOc1ccc(NCc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C16H13BrN2O/c17-15-8-3-11(16-14(15)2-1-9-18-16)10-19-12-4-6-13(20)7-5-12/h1-9,19-20H,10H2
InChIKeyGSJBQCIAOXIUDU-UHFFFAOYSA-N
XLogP4.32
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115958992
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
N-[(5-bromoquinolin-8-yl)methyl]-3-chloroaniline
CID 115958979
N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 113355941
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-6-fluoroaniline
CID 107598155
N-[(5-bromoquinolin-8-yl)methyl]-4-chloro-2-fluoroaniline
CID 115959158
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
3-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutan-1-ol
CID 115968214
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromoquinolin-8-yl)methylamino]phenol?
The IUPAC name of 4-[(5-bromoquinolin-8-yl)methylamino]phenol (CID 115959175) is 4-[(5-bromoquinolin-8-yl)methylamino]phenol.
What is the SMILES notation for 4-[(5-bromoquinolin-8-yl)methylamino]phenol?
The canonical SMILES for 4-[(5-bromoquinolin-8-yl)methylamino]phenol is Oc1ccc(NCc2ccc(Br)c3cccnc23)cc1.
What is the InChIKey of 4-[(5-bromoquinolin-8-yl)methylamino]phenol?
The InChIKey is GSJBQCIAOXIUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-15-8-3-11(16-14(15)2-1-9-18-16)10-19-12-4-6-13(20)7-5-12/h1-9,19-20H,10H2.
What are the key properties of 4-[(5-bromoquinolin-8-yl)methylamino]phenol?
4-[(5-bromoquinolin-8-yl)methylamino]phenol has a molecular weight of 329.20 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromoquinolin-8-yl)methylamino]phenol is sourced from PubChem (CID 115959175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).