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

C16H12BrClFNO — CID 90078144

IUPAC(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C16H12BrClFNO/c17-11-6-7-14-10(9-11)3-2-8-20(14)16(21)15-12(18)4-1-5-13(15)19/h1,4-7,9H,2-3,8H2
InChIKeyHTBXYQSCOGMVNO-UHFFFAOYSA-N
MW368.63 g/mol
LogP4.83
Rot. Bonds1

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

(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone (PubChem CID 90078144) has the molecular formula C16H12BrClFNO and a molecular weight of 368.63 g/mol. Its IUPAC name is (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone.

Molecular Properties

Compound Name(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone
PubChem CID90078144
Molecular FormulaC16H12BrClFNO
Molecular Weight368.63 g/mol
Exact Mass366.98
IUPAC Name(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C16H12BrClFNO/c17-11-6-7-14-10(9-11)3-2-8-20(14)16(21)15-12(18)4-1-5-13(15)19/h1,4-7,9H,2-3,8H2
InChIKeyHTBXYQSCOGMVNO-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.63
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2,4-Dichlorobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 599544
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
Cambridge id 6989343
CID 1327463
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
(3-Bromophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 1358766
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

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
The IUPAC name of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone (CID 90078144) is (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone.
What is the SMILES notation for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
The canonical SMILES for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone is O=C(c1c(F)cccc1Cl)N1CCCc2cc(Br)ccc21.
What is the InChIKey of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
The InChIKey is HTBXYQSCOGMVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClFNO/c17-11-6-7-14-10(9-11)3-2-8-20(14)16(21)15-12(18)4-1-5-13(15)19/h1,4-7,9H,2-3,8H2.
What are the key properties of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone?
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone has a molecular weight of 368.63 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-6-fluorophenyl)methanone is sourced from PubChem (CID 90078144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).