morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate

C21H23Cl2N3O3 — CID 68884655

IUPACmorpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)ON2CCOCC2)C1
InChIInChI=1S/C21H23Cl2N3O3/c1-25-12-17(16-10-14(22)11-19(23)18(16)13-25)15-4-2-3-5-20(15)24-21(27)29-26-6-8-28-9-7-26/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,24,27)
InChIKeyGRZGLGWKAHSDHZ-UHFFFAOYSA-N
MW436.34 g/mol
LogP4.37
Rot. Bonds3

About morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate

morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate (PubChem CID 68884655) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate.

Molecular Properties

Compound Namemorpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate
PubChem CID68884655
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC Namemorpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)ON2CCOCC2)C1
InChIInChI=1S/C21H23Cl2N3O3/c1-25-12-17(16-10-14(22)11-19(23)18(16)13-25)15-4-2-3-5-20(15)24-21(27)29-26-6-8-28-9-7-26/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,24,27)
InChIKeyGRZGLGWKAHSDHZ-UHFFFAOYSA-N
XLogP4.37
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate?
The IUPAC name of morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate (CID 68884655) is morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate.
What is the SMILES notation for morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate?
The canonical SMILES for morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2NC(=O)ON2CCOCC2)C1.
What is the InChIKey of morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate?
The InChIKey is GRZGLGWKAHSDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-25-12-17(16-10-14(22)11-19(23)18(16)13-25)15-4-2-3-5-20(15)24-21(27)29-26-6-8-28-9-7-26/h2-5,10-11,17H,6-9,12-13H2,1H3,(H,24,27).
What are the key properties of morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate?
morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate has a molecular weight of 436.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]carbamate is sourced from PubChem (CID 68884655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).