(5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one

C25H28BrN3O3 — CID 66736379

IUPAC(5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one
SMILESCOc1cnc2cccc(CCCN(C)C[C@@H]3CN(c4ccc(Br)c(C)c4)C(=O)O3)c2c1
InChIInChI=1S/C25H28BrN3O3/c1-17-12-19(9-10-23(17)26)29-16-21(32-25(29)30)15-28(2)11-5-7-18-6-4-8-24-22(18)13-20(31-3)14-27-24/h4,6,8-10,12-14,21H,5,7,11,15-16H2,1-3H3/t21-/m1/s1
InChIKeyROCZFIFXFWINBP-OAQYLSRUSA-N
MW498.42 g/mol
LogP5.20
Rot. Bonds8

About (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one

(5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one (PubChem CID 66736379) has the molecular formula C25H28BrN3O3 and a molecular weight of 498.42 g/mol. Its IUPAC name is (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one
PubChem CID66736379
Molecular FormulaC25H28BrN3O3
Molecular Weight498.42 g/mol
Exact Mass497.13
IUPAC Name(5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one
SMILESCOc1cnc2cccc(CCCN(C)C[C@@H]3CN(c4ccc(Br)c(C)c4)C(=O)O3)c2c1
InChIInChI=1S/C25H28BrN3O3/c1-17-12-19(9-10-23(17)26)29-16-21(32-25(29)30)15-28(2)11-5-7-18-6-4-8-24-22(18)13-20(31-3)14-27-24/h4,6,8-10,12-14,21H,5,7,11,15-16H2,1-3H3/t21-/m1/s1
InChIKeyROCZFIFXFWINBP-OAQYLSRUSA-N
XLogP5.20
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.42
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[[3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide
CID 66737681
N-[[(5R)-3-(3-fluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinolin-5-yl)-N-methylpropanamide
CID 66737680
3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
CID 66737148
3-(3-methoxyquinolin-5-yl)-N-[[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
CID 66737147
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
5-bromo-3-methoxyquinoline
CID 58227851
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanesulfonamide
CID 16922720
3-(6-bromo-3-pyridinyl)-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 23371856
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110327938
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 23383621
3-[4-[(2-bromo-6-methoxyphenyl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 170608697

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one (CID 66736379) is (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one is COc1cnc2cccc(CCCN(C)C[C@@H]3CN(c4ccc(Br)c(C)c4)C(=O)O3)c2c1.
What is the InChIKey of (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is ROCZFIFXFWINBP-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28BrN3O3/c1-17-12-19(9-10-23(17)26)29-16-21(32-25(29)30)15-28(2)11-5-7-18-6-4-8-24-22(18)13-20(31-3)14-27-24/h4,6,8-10,12-14,21H,5,7,11,15-16H2,1-3H3/t21-/m1/s1.
What are the key properties of (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one?
(5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 498.42 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-bromo-3-methylphenyl)-5-[[3-(3-methoxyquinolin-5-yl)propyl-methylamino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66736379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).