(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C16H13BrClNO — CID 115782129

IUPAC(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESO=C(c1ccc(Br)cc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C16H13BrClNO/c17-11-6-7-12(14(18)9-11)16(20)13-5-1-3-10-4-2-8-19-15(10)13/h2,4,6-9,13H,1,3,5H2
InChIKeyUYPPPDPSWWQFHF-UHFFFAOYSA-N
MW350.64 g/mol
LogP4.80
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 115782129) has the molecular formula C16H13BrClNO and a molecular weight of 350.64 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID115782129
Molecular FormulaC16H13BrClNO
Molecular Weight350.64 g/mol
Exact Mass348.99
IUPAC Name(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESO=C(c1ccc(Br)cc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C16H13BrClNO/c17-11-6-7-12(14(18)9-11)16(20)13-5-1-3-10-4-2-8-19-15(10)13/h2,4,6-9,13H,1,3,5H2
InChIKeyUYPPPDPSWWQFHF-UHFFFAOYSA-N
XLogP4.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745583
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745963
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782285
(3,5-dichlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 115783719
pyrrolidin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116568328
N-(4-bromo-2,6-dichlorophenyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079828

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 115782129) is (4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is O=C(c1ccc(Br)cc1Cl)C1CCCc2cccnc21.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is UYPPPDPSWWQFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO/c17-11-6-7-12(14(18)9-11)16(20)13-5-1-3-10-4-2-8-19-15(10)13/h2,4,6-9,13H,1,3,5H2.
What are the key properties of (4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 350.64 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 115782129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).