3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol

C16H14BrN2O+ — CID 1402686

IUPAC3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
SMILESCc1cc(Nc2cccc(O)c2)c2cc(Br)ccc2[nH+]1
InChIInChI=1S/C16H13BrN2O/c1-10-7-16(19-12-3-2-4-13(20)9-12)14-8-11(17)5-6-15(14)18-10/h2-9,20H,1H3,(H,18,19)/p+1
InChIKeyHKGKQKOXZLPQBP-UHFFFAOYSA-O
MW330.21 g/mol
LogP4.17
Rot. Bonds2

About 3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol

3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol (PubChem CID 1402686) has the molecular formula C16H14BrN2O+ and a molecular weight of 330.21 g/mol. Its IUPAC name is 3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
PubChem CID1402686
Molecular FormulaC16H14BrN2O+
Molecular Weight330.21 g/mol
Exact Mass329.03
IUPAC Name3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
SMILESCc1cc(Nc2cccc(O)c2)c2cc(Br)ccc2[nH+]1
InChIInChI=1S/C16H13BrN2O/c1-10-7-16(19-12-3-2-4-13(20)9-12)14-8-11(17)5-6-15(14)18-10/h2-9,20H,1H3,(H,18,19)/p+1
InChIKeyHKGKQKOXZLPQBP-UHFFFAOYSA-O
XLogP4.17
TPSA46.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride
CID 52994929
1-[3-[(6-chloro-2-methylquinolin-1-ium-4-yl)amino]phenyl]ethanone
CID 3646531
4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
CID 1401355
4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol
CID 1391620
3-(2,6-dimethylanilino)phenol
CID 53407688
2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride
CID 44661730
3-(2-methoxyanilino)phenol
CID 82537348
3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride
CID 2790794
3-(2-fluoroanilino)phenol
CID 82537350
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
2-hydroxy-6-(3-hydroxyanilino)-4-methylbenzaldehyde
CID 19980734
3-[(6,7-dimethoxynaphthalen-1-yl)amino]phenol
CID 71217459

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol?
The IUPAC name of 3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol (CID 1402686) is 3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol.
What is the SMILES notation for 3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol?
The canonical SMILES for 3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol is Cc1cc(Nc2cccc(O)c2)c2cc(Br)ccc2[nH+]1.
What is the InChIKey of 3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol?
The InChIKey is HKGKQKOXZLPQBP-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13BrN2O/c1-10-7-16(19-12-3-2-4-13(20)9-12)14-8-11(17)5-6-15(14)18-10/h2-9,20H,1H3,(H,18,19)/p+1.
What are the key properties of 3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol?
3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol has a molecular weight of 330.21 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol is sourced from PubChem (CID 1402686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).