methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate

C12H14BrNO2 — CID 117193490

IUPACmethyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
SMILESCOC(=O)C1(C)CCc2cccc(Br)c2N1
InChIInChI=1S/C12H14BrNO2/c1-12(11(15)16-2)7-6-8-4-3-5-9(13)10(8)14-12/h3-5,14H,6-7H2,1-2H3
InChIKeyLWLBDHPMLIVBCA-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.74
Rot. Bonds1

About methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate

methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate (PubChem CID 117193490) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
PubChem CID117193490
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Namemethyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
SMILESCOC(=O)C1(C)CCc2cccc(Br)c2N1
InChIInChI=1S/C12H14BrNO2/c1-12(11(15)16-2)7-6-8-4-3-5-9(13)10(8)14-12/h3-5,14H,6-7H2,1-2H3
InChIKeyLWLBDHPMLIVBCA-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
CID 117193382
methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193461
9-bromo-3,3-dimethyl-1,2,4,5-tetrahydro-1-benzazepine
CID 84729224
methyl 5-bromo-2-methyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate
CID 157023406
methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
CID 117193320
methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate
CID 102098459
methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
CID 83913602
methyl (2S)-5-bromo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 70230270
methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
methyl 3-hydroxy-3-methyl-1,2-dihydroindene-4-carboxylate
CID 11085000
methyl 7-bromo-2-ethyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193468
(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120629648

Frequently Asked Questions

What is the IUPAC name of methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate (CID 117193490) is methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate is COC(=O)C1(C)CCc2cccc(Br)c2N1.
What is the InChIKey of methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate?
The InChIKey is LWLBDHPMLIVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-12(11(15)16-2)7-6-8-4-3-5-9(13)10(8)14-12/h3-5,14H,6-7H2,1-2H3.
What are the key properties of methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate?
methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate has a molecular weight of 284.15 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate is sourced from PubChem (CID 117193490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).