8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine

C18H17BrClFN2 — CID 152703884

IUPAC8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine
SMILESCc1ccc(F)c(CN2c3c(Br)cccc3C(N)=CC2C)c1Cl
InChIInChI=1S/C18H17BrClFN2/c1-10-6-7-15(21)13(17(10)20)9-23-11(2)8-16(22)12-4-3-5-14(19)18(12)23/h3-8,11H,9,22H2,1-2H3
InChIKeyZSDRHDCJGKVFJK-UHFFFAOYSA-N
MW395.70 g/mol
LogP5.26
Rot. Bonds2

About 8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine

8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine (PubChem CID 152703884) has the molecular formula C18H17BrClFN2 and a molecular weight of 395.70 g/mol. Its IUPAC name is 8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine.

Molecular Properties

Compound Name8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine
PubChem CID152703884
Molecular FormulaC18H17BrClFN2
Molecular Weight395.70 g/mol
Exact Mass394.02
IUPAC Name8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine
SMILESCc1ccc(F)c(CN2c3c(Br)cccc3C(N)=CC2C)c1Cl
InChIInChI=1S/C18H17BrClFN2/c1-10-6-7-15(21)13(17(10)20)9-23-11(2)8-16(22)12-4-3-5-14(19)18(12)23/h3-8,11H,9,22H2,1-2H3
InChIKeyZSDRHDCJGKVFJK-UHFFFAOYSA-N
XLogP5.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.70
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-Bromo-2-chloro-5-fluorophenyl)-1,2,2-trimethylquinoline
CID 21467278
6-(3-bromo-2-chloro-5-fluorophenyl)-2,2,4-trimethyl-1H-quinoline
CID 23433545
3-bromo-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-fluoro-N-methylaniline
CID 59393842
3-bromo-N-[1-(4-chloro-3-methylphenyl)propyl]-4-fluoro-N-methylaniline
CID 72286617
N-(2-bromophenyl)-N'-[(2-chloro-4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 91255703
6-bromo-1-[(E)-1-(2-chloro-6-fluorophenyl)prop-1-enyl]-3,4-dihydro-2H-quinoline
CID 145696345
6-bromo-1-(3-chloro-4-fluorophenyl)-2H-quinolin-4-amine
CID 149623437
8-bromo-1-[(3,6-dichloro-2-fluorophenyl)methyl]-2-methyl-2H-quinolin-4-amine
CID 149899557
8-bromo-1-[(2,3-dichloro-6-fluorophenyl)methyl]-2-methyl-2H-quinolin-4-amine
CID 152042420
2-bromo-6-[1-(2-chloro-5-fluorophenyl)ethenyl]-N-methylaniline
CID 170702573
2-bromo-6-[(2-chloro-5-fluorophenyl)methyl]-N-methylaniline
CID 170702732
6-bromo-2-[(2-chloro-5-fluorophenyl)methyl]-3-fluoro-N-methylaniline
CID 170702746

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine?
The IUPAC name of 8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine (CID 152703884) is 8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine.
What is the SMILES notation for 8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine?
The canonical SMILES for 8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine is Cc1ccc(F)c(CN2c3c(Br)cccc3C(N)=CC2C)c1Cl.
What is the InChIKey of 8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine?
The InChIKey is ZSDRHDCJGKVFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClFN2/c1-10-6-7-15(21)13(17(10)20)9-23-11(2)8-16(22)12-4-3-5-14(19)18(12)23/h3-8,11H,9,22H2,1-2H3.
What are the key properties of 8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine?
8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine has a molecular weight of 395.70 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-methyl-2H-quinolin-4-amine is sourced from PubChem (CID 152703884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).