6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine

C16H12BrClN2O — CID 65126875

IUPAC6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1OCc1cccc(Cl)c1
InChIInChI=1S/C16H12BrClN2O/c17-11-4-5-15-13(7-11)16(14(19)8-20-15)21-9-10-2-1-3-12(18)6-10/h1-8H,9,19H2
InChIKeyQAGZUGIIPGYOLR-UHFFFAOYSA-N
MW363.64 g/mol
LogP4.81
Rot. Bonds3

About 6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine

6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine (PubChem CID 65126875) has the molecular formula C16H12BrClN2O and a molecular weight of 363.64 g/mol. Its IUPAC name is 6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine
PubChem CID65126875
Molecular FormulaC16H12BrClN2O
Molecular Weight363.64 g/mol
Exact Mass361.98
IUPAC Name6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1OCc1cccc(Cl)c1
InChIInChI=1S/C16H12BrClN2O/c17-11-4-5-15-13(7-11)16(14(19)8-20-15)21-9-10-2-1-3-12(18)6-10/h1-8H,9,19H2
InChIKeyQAGZUGIIPGYOLR-UHFFFAOYSA-N
XLogP4.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(3-chlorophenyl)methoxy]aniline
CID 65342868
6-bromo-4-(3-bromophenoxy)quinolin-3-amine
CID 43621410
6-bromo-4-phenoxyquinolin-3-amine
CID 43621409
2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 61102494
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530433
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 65127178
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
4-[(3-chlorophenyl)methoxy]pyridin-3-amine
CID 65126775
4-chloro-6-phenylmethoxyquinolin-3-amine
CID 102614162
2-[(3-chlorophenyl)methoxy]-5-methylpyridin-3-amine
CID 66279132

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine?
The IUPAC name of 6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine (CID 65126875) is 6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine?
The canonical SMILES for 6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine is Nc1cnc2ccc(Br)cc2c1OCc1cccc(Cl)c1.
What is the InChIKey of 6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine?
The InChIKey is QAGZUGIIPGYOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O/c17-11-4-5-15-13(7-11)16(14(19)8-20-15)21-9-10-2-1-3-12(18)6-10/h1-8H,9,19H2.
What are the key properties of 6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine?
6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine has a molecular weight of 363.64 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(3-chlorophenyl)methoxy]quinolin-3-amine is sourced from PubChem (CID 65126875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).