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

C19H16Cl2N2O3 — CID 11718084

IUPAC3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2C(=O)COC2=O)C1
InChIInChI=1S/C19H16Cl2N2O3/c1-22-8-14(13-6-11(20)7-16(21)15(13)9-22)12-4-2-3-5-17(12)23-18(24)10-26-19(23)25/h2-7,14H,8-10H2,1H3/t14-/m0/s1
InChIKeyCCZPWBLBXYCGDG-AWEZNQCLSA-N
MW391.25 g/mol
LogP4.05
Rot. Bonds2

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

3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione (PubChem CID 11718084) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione
PubChem CID11718084
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2C(=O)COC2=O)C1
InChIInChI=1S/C19H16Cl2N2O3/c1-22-8-14(13-6-11(20)7-16(21)15(13)9-22)12-4-2-3-5-17(12)23-18(24)10-26-19(23)25/h2-7,14H,8-10H2,1H3/t14-/m0/s1
InChIKeyCCZPWBLBXYCGDG-AWEZNQCLSA-N
XLogP4.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-((r)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylcarbamoyl]-methoxy}acetic acid trifluoroacetic acid salt
CID 66865118
[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
[4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-3,5-dioxomorpholin-2-yl] 2,2,2-trifluoroacetate
CID 140114483
[1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]-2,5-dioxopyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 140114485
[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
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-methylpropanamide
CID 10110109
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]propanamide
CID 10270053
1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione
CID 11494810
(3S)-1-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-3-hydroxypyrrolidine-2,5-dione
CID 11495129
1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 11509935

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-oxazolidine-2,4-dione?
The IUPAC name of 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione (CID 11718084) is 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione is CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2N2C(=O)COC2=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-oxazolidine-2,4-dione?
The InChIKey is CCZPWBLBXYCGDG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-22-8-14(13-6-11(20)7-16(21)15(13)9-22)12-4-2-3-5-17(12)23-18(24)10-26-19(23)25/h2-7,14H,8-10H2,1H3/t14-/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-oxazolidine-2,4-dione?
3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 391.25 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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-oxazolidine-2,4-dione is sourced from PubChem (CID 11718084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).