(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone

C16H12BrClFNO — CID 155093139

IUPAC(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CC(F)Cc2cc(Br)ccc21
InChIInChI=1S/C16H12BrClFNO/c17-12-4-5-15-11(6-12)8-14(19)9-20(15)16(21)10-2-1-3-13(18)7-10/h1-7,14H,8-9H2
InChIKeyXVSPTJWYHPALAN-UHFFFAOYSA-N
MW368.63 g/mol
LogP4.64
Rot. Bonds1

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

(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone (PubChem CID 155093139) has the molecular formula C16H12BrClFNO and a molecular weight of 368.63 g/mol. Its IUPAC name is (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone
PubChem CID155093139
Molecular FormulaC16H12BrClFNO
Molecular Weight368.63 g/mol
Exact Mass366.98
IUPAC Name(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CC(F)Cc2cc(Br)ccc21
InChIInChI=1S/C16H12BrClFNO/c17-12-4-5-15-11(6-12)8-14(19)9-20(15)16(21)10-2-1-3-13(18)7-10/h1-7,14H,8-9H2
InChIKeyXVSPTJWYHPALAN-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-(4-bromophenyl)-4-chlorobenzamide
CID 44318782
(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
(3-chlorophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 722333
(4-bromophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 732401
1-(4-Chlorobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 720112
(2-chloro-4-methylphenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 885822
7-Bromo-4-(3-chlorobenzoyl)-5-(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
CID 4215920
(2-Bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1068507
(2-Bromophenyl)(4-(4-chlorophenyl)piperazin-1-yl)methanone
CID 1010040
(3,4-Dichlorophenyl)(3,4-dihydro-1(2H)-quinolinyl)methanone
CID 790424
N-(4-bromo-2-methylphenyl)-3-chlorobenzamide
CID 798975

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone (CID 155093139) is (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CC(F)Cc2cc(Br)ccc21.
What is the InChIKey of (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone?
The InChIKey is XVSPTJWYHPALAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClFNO/c17-12-4-5-15-11(6-12)8-14(19)9-20(15)16(21)10-2-1-3-13(18)7-10/h1-7,14H,8-9H2.
What are the key properties of (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone?
(6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone has a molecular weight of 368.63 g/mol, XLogP of 4.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 155093139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).