3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol

C16H13BrN2O — CID 938637

IUPAC3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
SMILESCc1cc(Nc2cccc(O)c2)c2cccc(Br)c2n1
InChIInChI=1S/C16H13BrN2O/c1-10-8-15(19-11-4-2-5-12(20)9-11)13-6-3-7-14(17)16(13)18-10/h2-9,20H,1H3,(H,18,19)
InChIKeySMTLSCOUJJWHHW-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.75
Rot. Bonds2

About 3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol

3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol (PubChem CID 938637) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
PubChem CID938637
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
SMILESCc1cc(Nc2cccc(O)c2)c2cccc(Br)c2n1
InChIInChI=1S/C16H13BrN2O/c1-10-8-15(19-11-4-2-5-12(20)9-11)13-6-3-7-14(17)16(13)18-10/h2-9,20H,1H3,(H,18,19)
InChIKeySMTLSCOUJJWHHW-UHFFFAOYSA-N
XLogP4.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol?
The IUPAC name of 3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol (CID 938637) is 3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol?
The canonical SMILES for 3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol is Cc1cc(Nc2cccc(O)c2)c2cccc(Br)c2n1.
What is the InChIKey of 3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol?
The InChIKey is SMTLSCOUJJWHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-10-8-15(19-11-4-2-5-12(20)9-11)13-6-3-7-14(17)16(13)18-10/h2-9,20H,1H3,(H,18,19).
What are the key properties of 3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol?
3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol has a molecular weight of 329.20 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-bromo-2-methylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 938637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).