ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate

C19H22N2O2 — CID 3029034

IUPACethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate
SMILESCCOC(=O)Nc1cccc2c1CN(C)CC2c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-3-23-19(22)20-18-11-7-10-15-16(12-21(2)13-17(15)18)14-8-5-4-6-9-14/h4-11,16H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyFQPXAXLGKPKAMF-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.83
Rot. Bonds3

About ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate

ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate (PubChem CID 3029034) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate
PubChem CID3029034
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nameethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate
SMILESCCOC(=O)Nc1cccc2c1CN(C)CC2c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-3-23-19(22)20-18-11-7-10-15-16(12-21(2)13-17(15)18)14-8-5-4-6-9-14/h4-11,16H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyFQPXAXLGKPKAMF-UHFFFAOYSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate?
The IUPAC name of ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate (CID 3029034) is ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate.
What is the SMILES notation for ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate?
The canonical SMILES for ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate is CCOC(=O)Nc1cccc2c1CN(C)CC2c1ccccc1.
What is the InChIKey of ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate?
The InChIKey is FQPXAXLGKPKAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-23-19(22)20-18-11-7-10-15-16(12-21(2)13-17(15)18)14-8-5-4-6-9-14/h4-11,16H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate?
ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate has a molecular weight of 310.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)carbamate is sourced from PubChem (CID 3029034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).