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

C37H34Cl4N4O5 — CID 160907617

IUPACN-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;3-[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.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2NC(=O)CO)C1
InChIInChI=1S/C19H16Cl2N2O3.C18H18Cl2N2O2/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;1-22-8-14(13-6-11(19)7-16(20)15(13)9-22)12-4-2-3-5-17(12)21-18(24)10-23/h2-7,14H,8-10H2,1H3;2-7,14,23H,8-10H2,1H3,(H,21,24)/t2*14-/m00/s1
InChIKeySQIVYCJUSPCTHL-DXZWIFNPSA-N
MW756.51 g/mol
LogP7.56
Rot. Bonds5

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

N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione (PubChem CID 160907617) has the molecular formula C37H34Cl4N4O5 and a molecular weight of 756.51 g/mol. Its IUPAC name is N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;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 NameN-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione
PubChem CID160907617
Molecular FormulaC37H34Cl4N4O5
Molecular Weight756.51 g/mol
Exact Mass754.13
IUPAC NameN-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;3-[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.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2NC(=O)CO)C1
InChIInChI=1S/C19H16Cl2N2O3.C18H18Cl2N2O2/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;1-22-8-14(13-6-11(19)7-16(20)15(13)9-22)12-4-2-3-5-17(12)21-18(24)10-23/h2-7,14H,8-10H2,1H3;2-7,14,23H,8-10H2,1H3,(H,21,24)/t2*14-/m00/s1
InChIKeySQIVYCJUSPCTHL-DXZWIFNPSA-N
XLogP7.56
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.51
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]aniline;1-[2-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione;2,2,2-trifluoroacetic acid
CID 162174192
4-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]morpholine-3,5-dione
CID 11531543
3-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione
CID 11531787
3-[2-((R)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl]-oxazolidine-2,4-dione
CID 11718084
N-[2-((R)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl]-2-hydroxyacetamide
CID 59682845
[2-((R)-6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl-carbamoyl]methyl acetate
CID 59682852
2-[2-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]anilino]-2-oxoethoxy]acetic acid
CID 59682866
3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1,3-oxazolidine-2,4-dione
CID 66864745
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-hydroxyacetamide
CID 66865203
3-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione;hydrochloride
CID 66865293
3-[2-(6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1,3-oxazolidine-2,4-dione;hydrochloride
CID 66865294

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;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 N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione (CID 160907617) is N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;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 N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;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 N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;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.CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2ccccc2NC(=O)CO)C1.
What is the InChIKey of N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;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 SQIVYCJUSPCTHL-DXZWIFNPSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3.C18H18Cl2N2O2/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;1-22-8-14(13-6-11(19)7-16(20)15(13)9-22)12-4-2-3-5-17(12)21-18(24)10-23/h2-7,14H,8-10H2,1H3;2-7,14,23H,8-10H2,1H3,(H,21,24)/t2*14-/m00/s1.
What are the key properties of N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidine-2,4-dione?
N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;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 756.51 g/mol, XLogP of 7.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-2-hydroxyacetamide;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 160907617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).