7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline

C17H18BrNO — CID 132590268

IUPAC7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(C2CCc3cc(C)c(Br)cc3N2)cc1
InChIInChI=1S/C17H18BrNO/c1-11-9-13-5-8-16(19-17(13)10-15(11)18)12-3-6-14(20-2)7-4-12/h3-4,6-7,9-10,16,19H,5,8H2,1-2H3
InChIKeyCHDWKNUBYYUKNY-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.87
Rot. Bonds2

About 7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline

7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 132590268) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID132590268
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(C2CCc3cc(C)c(Br)cc3N2)cc1
InChIInChI=1S/C17H18BrNO/c1-11-9-13-5-8-16(19-17(13)10-15(11)18)12-3-6-14(20-2)7-4-12/h3-4,6-7,9-10,16,19H,5,8H2,1-2H3
InChIKeyCHDWKNUBYYUKNY-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 77142132
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226
7-bromo-2-(2-chlorophenyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 132590303
(2S)-2-phenyl-1,2,3,4-tetrahydrobenzo[g]quinoline
CID 101474621
(2S)-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 102473074
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 16740807
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
5-chloro-2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 4030733
2-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1H-indole
CID 3552722
6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250
4-(4-methoxyphenyl)-2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 577333
(2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
CID 102250958

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline (CID 132590268) is 7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline is COc1ccc(C2CCc3cc(C)c(Br)cc3N2)cc1.
What is the InChIKey of 7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is CHDWKNUBYYUKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11-9-13-5-8-16(19-17(13)10-15(11)18)12-3-6-14(20-2)7-4-12/h3-4,6-7,9-10,16,19H,5,8H2,1-2H3.
What are the key properties of 7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline?
7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 332.24 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132590268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).