1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline

C18H20BrNO — CID 63458182

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(Br)cc1CN1CC(C)Cc2ccccc21
InChIInChI=1S/C18H20BrNO/c1-13-9-14-5-3-4-6-17(14)20(11-13)12-15-10-16(19)7-8-18(15)21-2/h3-8,10,13H,9,11-12H2,1-2H3
InChIKeyGMQHXBZZXLUVBF-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.66
Rot. Bonds3

About 1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline

1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline (PubChem CID 63458182) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline
PubChem CID63458182
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(Br)cc1CN1CC(C)Cc2ccccc21
InChIInChI=1S/C18H20BrNO/c1-13-9-14-5-3-4-6-17(14)20(11-13)12-15-10-16(19)7-8-18(15)21-2/h3-8,10,13H,9,11-12H2,1-2H3
InChIKeyGMQHXBZZXLUVBF-UHFFFAOYSA-N
XLogP4.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 79712520
1-[2-(4-bromophenoxy)ethyl]-3-methyl-3,4-dihydro-2H-quinoline
CID 63458022
3-fluoro-4-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 64769057
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 65342629
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 4085464
1-[(5-bromo-2-methoxyphenyl)methyl]-6-fluoro-2,3-dihydroindole
CID 103501605
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 15304197
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
1-(4-bromobutyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63447089
3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
CID 63513660

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline (CID 63458182) is 1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline is COc1ccc(Br)cc1CN1CC(C)Cc2ccccc21.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is GMQHXBZZXLUVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-13-9-14-5-3-4-6-17(14)20(11-13)12-15-10-16(19)7-8-18(15)21-2/h3-8,10,13H,9,11-12H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline?
1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 346.27 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 63458182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).