8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline

C16H15BrClNO — CID 132589830

IUPAC8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc(C2CCc3cc(Cl)cc(Br)c3N2)c1
InChIInChI=1S/C16H15BrClNO/c1-20-13-4-2-3-10(8-13)15-6-5-11-7-12(18)9-14(17)16(11)19-15/h2-4,7-9,15,19H,5-6H2,1H3
InChIKeyDQYHZUMTZSUFRP-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.21
Rot. Bonds2

About 8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline

8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 132589830) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID132589830
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc(C2CCc3cc(Cl)cc(Br)c3N2)c1
InChIInChI=1S/C16H15BrClNO/c1-20-13-4-2-3-10(8-13)15-6-5-11-7-12(18)9-14(17)16(11)19-15/h2-4,7-9,15,19H,5-6H2,1H3
InChIKeyDQYHZUMTZSUFRP-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589764
7-chloro-2-(3-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3689001
7-(3-methoxyphenyl)azepan-2-one
CID 12665502
8-bromo-2-tert-butyl-6-chloro-1,2,3,4-tetrahydroquinoline
CID 132589608
8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline
CID 132589464
6-bromo-5-chloro-2-(3-fluorophenyl)-8-methoxy-1,2,3,4-tetrahydroquinoline
CID 132589965
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
7-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 77142132
7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 132590268
5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030733

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline (CID 132589830) is 8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline is COc1cccc(C2CCc3cc(Cl)cc(Br)c3N2)c1.
What is the InChIKey of 8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is DQYHZUMTZSUFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-20-13-4-2-3-10(8-13)15-6-5-11-7-12(18)9-14(17)16(11)19-15/h2-4,7-9,15,19H,5-6H2,1H3.
What are the key properties of 8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline?
8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 352.66 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).