6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine

C16H12BrClN2 — CID 104846985

IUPAC6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine
SMILESCc1c(-c2ccccc2)nc2c(Cl)cc(Br)cc2c1N
InChIInChI=1S/C16H12BrClN2/c1-9-14(19)12-7-11(17)8-13(18)16(12)20-15(9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,19,20)
InChIKeyZLOXCEJARZUHLU-UHFFFAOYSA-N
MW347.64 g/mol
LogP5.21
Rot. Bonds1

About 6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine

6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine (PubChem CID 104846985) has the molecular formula C16H12BrClN2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine
PubChem CID104846985
Molecular FormulaC16H12BrClN2
Molecular Weight347.64 g/mol
Exact Mass345.99
IUPAC Name6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine
SMILESCc1c(-c2ccccc2)nc2c(Cl)cc(Br)cc2c1N
InChIInChI=1S/C16H12BrClN2/c1-9-14(19)12-7-11(17)8-13(18)16(12)20-15(9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,19,20)
InChIKeyZLOXCEJARZUHLU-UHFFFAOYSA-N
XLogP5.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.64
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-chloro-2-phenylquinolin-4-amine
CID 55196336
6-bromo-8-chloro-2-ethyl-3-methylquinolin-4-amine
CID 63560921
6-bromo-4,8-dichloro-2-phenylquinoline
CID 43668562
6-bromo-8-ethyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 4712153
5-fluoro-3,8-dimethyl-2-phenylquinolin-4-amine
CID 104847016
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845834
(7-chloro-3,6-dimethyl-2-phenylquinolin-4-yl)hydrazine
CID 104847236
8-chloro-6-fluoro-2,3-dimethylquinolin-4-amine
CID 62203582
6-bromo-8-chloro-2-methylquinoline-4-carboxylic acid
CID 82184087
5-bromo-1,3-dichloro-2-phenylbenzene
CID 54302815
4-[4-[7-[4-(4-methyl-3-phenylisoquinolin-1-yl)phenyl]naphthalen-2-yl]phenyl]aniline
CID 155283480
8-chloro-3,6-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744581

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine?
The IUPAC name of 6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine (CID 104846985) is 6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine.
What is the SMILES notation for 6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine?
The canonical SMILES for 6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine is Cc1c(-c2ccccc2)nc2c(Cl)cc(Br)cc2c1N.
What is the InChIKey of 6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine?
The InChIKey is ZLOXCEJARZUHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2/c1-9-14(19)12-7-11(17)8-13(18)16(12)20-15(9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,19,20).
What are the key properties of 6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine?
6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine has a molecular weight of 347.64 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-chloro-3-methyl-2-phenylquinolin-4-amine is sourced from PubChem (CID 104846985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).