(6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone

C17H14BrClFNO — CID 152912620

IUPAC(6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone
SMILESCC1CCc2cc(Br)ccc2N1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H14BrClFNO/c1-10-5-6-11-9-12(18)7-8-15(11)21(10)17(22)16-13(19)3-2-4-14(16)20/h2-4,7-10H,5-6H2,1H3
InChIKeyUHMRXYMOVAYHPJ-UHFFFAOYSA-N
MW382.66 g/mol
LogP5.22
Rot. Bonds1

About (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone

(6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone (PubChem CID 152912620) has the molecular formula C17H14BrClFNO and a molecular weight of 382.66 g/mol. Its IUPAC name is (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone
PubChem CID152912620
Molecular FormulaC17H14BrClFNO
Molecular Weight382.66 g/mol
Exact Mass380.99
IUPAC Name(6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone
SMILESCC1CCc2cc(Br)ccc2N1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H14BrClFNO/c1-10-5-6-11-9-12(18)7-8-15(11)21(10)17(22)16-13(19)3-2-4-14(16)20/h2-4,7-10H,5-6H2,1H3
InChIKeyUHMRXYMOVAYHPJ-UHFFFAOYSA-N
XLogP5.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.66
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone with MolForge

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Related Compounds

(2-Chloro-4,5-difluoro-phenyl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 790863
1-(3-Bromobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 789110
1-(4-Bromo-2-methylphenyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine-2,3-dione
CID 49838153
7-Bromo-4-(2-chloro-6-fluorobenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
CID 4460803
7-Bromo-4-(2-chloro-6-fluorobenzoyl)-5-phenyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
CID 4424774
N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 690078
5-Bromo-2-chlorophenyl 4-phenylpiperazinyl ketone
CID 1226372
(2,4-dichlorophenyl)(2-methyl-3,4-dihydroquinolin-1(2H)-yl)methanone
CID 2930064
5-bromo-2-chloro-N-(1-cyclopropanecarbonyl-1,2,3,4-tetrahydroquinolin-6-yl)benzamide
CID 16808959
(2-chloro-5,6-difluoro-3-methylphenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 889339
(4-chloro-2,3-difluorophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 1081716
2-(2-chloro-6-fluorophenyl)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
CID 1241678

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
The IUPAC name of (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone (CID 152912620) is (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone.
What is the SMILES notation for (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
The canonical SMILES for (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone is CC1CCc2cc(Br)ccc2N1C(=O)c1c(F)cccc1Cl.
What is the InChIKey of (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
The InChIKey is UHMRXYMOVAYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClFNO/c1-10-5-6-11-9-12(18)7-8-15(11)21(10)17(22)16-13(19)3-2-4-14(16)20/h2-4,7-10H,5-6H2,1H3.
What are the key properties of (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
(6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone has a molecular weight of 382.66 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone is sourced from PubChem (CID 152912620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).