(2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate

C20H28N2O5 — CID 129111311

IUPAC(2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate
SMILESCCn1cc(OC(=O)NC(C)CC(C)C)c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C20H28N2O5/c1-7-22-11-18(27-20(24)21-13(4)8-12(2)3)14-9-16(25-5)17(26-6)10-15(14)19(22)23/h9-13H,7-8H2,1-6H3,(H,21,24)
InChIKeyRJBJAEHKAYUUIW-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.56
Rot. Bonds7

About (2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate

(2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate (PubChem CID 129111311) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is (2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate.

Molecular Properties

Compound Name(2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate
PubChem CID129111311
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name(2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate
SMILESCCn1cc(OC(=O)NC(C)CC(C)C)c2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C20H28N2O5/c1-7-22-11-18(27-20(24)21-13(4)8-12(2)3)14-9-16(25-5)17(26-6)10-15(14)19(22)23/h9-13H,7-8H2,1-6H3,(H,21,24)
InChIKeyRJBJAEHKAYUUIW-UHFFFAOYSA-N
XLogP3.56
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate?
The IUPAC name of (2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate (CID 129111311) is (2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate.
What is the SMILES notation for (2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate?
The canonical SMILES for (2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate is CCn1cc(OC(=O)NC(C)CC(C)C)c2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of (2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate?
The InChIKey is RJBJAEHKAYUUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-7-22-11-18(27-20(24)21-13(4)8-12(2)3)14-9-16(25-5)17(26-6)10-15(14)19(22)23/h9-13H,7-8H2,1-6H3,(H,21,24).
What are the key properties of (2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate?
(2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate has a molecular weight of 376.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6,7-dimethoxy-1-oxoisoquinolin-4-yl) N-(4-methylpentan-2-yl)carbamate is sourced from PubChem (CID 129111311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).