3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one

C19H18Cl2N2O2 — CID 11703546

IUPAC3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2CCOC2=O)C1
InChIInChI=1S/C19H18Cl2N2O2/c1-22-10-15(14-8-12(20)9-17(21)16(14)11-22)13-4-2-3-5-18(13)23-6-7-25-19(23)24/h2-5,8-9,15H,6-7,10-11H2,1H3/t15-/m0/s1
InChIKeyAYONFSUUPWYDIY-HNNXBMFYSA-N
MW377.27 g/mol
LogP4.53
Rot. Bonds2

About 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one

3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 11703546) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID11703546
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2CCOC2=O)C1
InChIInChI=1S/C19H18Cl2N2O2/c1-22-10-15(14-8-12(20)9-17(21)16(14)11-22)13-4-2-3-5-18(13)23-6-7-25-19(23)24/h2-5,8-9,15H,6-7,10-11H2,1H3/t15-/m0/s1
InChIKeyAYONFSUUPWYDIY-HNNXBMFYSA-N
XLogP4.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Gastrofenzin
CID 146094
Ethyl N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]carbamate
CID 146095
US9828339, Example 167
CID 121425495
5-[[4-[(2-Chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 23029359
1-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 66864806
4-[2-((r)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl]-morpholine-3,5-dione trifluoroacetic acid salt
CID 66865001
[2-[2-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]anilino]-2-oxoethoxy]acetyl] 2,2,2-trifluoroacetate
CID 87183528
[(3S)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-4-fluorophenyl]-N-methylcarbamate
CID 132157023
[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate
CID 134283857
(1-methylpyrrolidin-3-yl) N-[2-(3-chloro-4-fluorophenyl)phenyl]-N-methylcarbamate
CID 138694001
[(3R)-1-methylpyrrolidin-3-yl] N-[2-(3-chlorophenyl)-5-fluorophenyl]-N-methylcarbamate
CID 138694016
[1-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-oxopyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 140524264

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one (CID 11703546) is 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one is CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2CCOC2=O)C1.
What is the InChIKey of 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is AYONFSUUPWYDIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-22-10-15(14-8-12(20)9-17(21)16(14)11-22)13-4-2-3-5-18(13)23-6-7-25-19(23)24/h2-5,8-9,15H,6-7,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one?
3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 377.27 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11703546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).