methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate

C24H24BrNO3 — CID 102199483

IUPACmethyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate
SMILESCOC(=O)C1=C[C@H](c2ccc(Br)cc2)C2=C(CCCC2)N1c1ccc(OC)cc1
InChIInChI=1S/C24H24BrNO3/c1-28-19-13-11-18(12-14-19)26-22-6-4-3-5-20(22)21(15-23(26)24(27)29-2)16-7-9-17(25)10-8-16/h7-15,21H,3-6H2,1-2H3/t21-/m1/s1
InChIKeyJLLNOBWKWOTNDM-OAQYLSRUSA-N
MW454.36 g/mol
LogP5.95
Rot. Bonds4

About methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate

methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate (PubChem CID 102199483) has the molecular formula C24H24BrNO3 and a molecular weight of 454.36 g/mol. Its IUPAC name is methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate
PubChem CID102199483
Molecular FormulaC24H24BrNO3
Molecular Weight454.36 g/mol
Exact Mass453.09
IUPAC Namemethyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate
SMILESCOC(=O)C1=C[C@H](c2ccc(Br)cc2)C2=C(CCCC2)N1c1ccc(OC)cc1
InChIInChI=1S/C24H24BrNO3/c1-28-19-13-11-18(12-14-19)26-22-6-4-3-5-20(22)21(15-23(26)24(27)29-2)16-7-9-17(25)10-8-16/h7-15,21H,3-6H2,1-2H3/t21-/m1/s1
InChIKeyJLLNOBWKWOTNDM-OAQYLSRUSA-N
XLogP5.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate with MolForge

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Related Compounds

benzyl (4R)-4-(4-chlorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate
CID 71623705
5-O-ethyl 2-O-methyl 1-(4-bromophenyl)-4-(4-methoxyphenyl)-6-methyl-4H-pyridine-2,5-dicarboxylate
CID 71723433
5-O-ethyl 2-O-methyl 1-(4-methoxyphenyl)-6-methyl-4-(4-methylphenyl)-4H-pyridine-2,5-dicarboxylate
CID 71723285
10-(4-bromophenyl)-9-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CID 42645872
methyl 2-amino-1-(4-bromophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
CID 3748174
2-amino-1-(4-bromophenyl)-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 2845059
methyl (2S,6R)-4-(4-bromoanilino)-1-(4-bromophenyl)-2,6-bis(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 122183202
(3S)-3-(4-bromoanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860132
diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 12574229
methyl 4-(1,2,3,5,6,7,8,9-octahydrocyclopenta[b]quinolin-4-yl)benzoate
CID 12556188
dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1294939
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate?
The IUPAC name of methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate (CID 102199483) is methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate.
What is the SMILES notation for methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate?
The canonical SMILES for methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate is COC(=O)C1=C[C@H](c2ccc(Br)cc2)C2=C(CCCC2)N1c1ccc(OC)cc1.
What is the InChIKey of methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate?
The InChIKey is JLLNOBWKWOTNDM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24BrNO3/c1-28-19-13-11-18(12-14-19)26-22-6-4-3-5-20(22)21(15-23(26)24(27)29-2)16-7-9-17(25)10-8-16/h7-15,21H,3-6H2,1-2H3/t21-/m1/s1.
What are the key properties of methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate?
methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate has a molecular weight of 454.36 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-quinoline-2-carboxylate is sourced from PubChem (CID 102199483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).