7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide

C18H21N3O5 — CID 118414586

IUPAC7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
SMILESCOc1cc2c(OC[C@H]3NC(=O)[C@@H](OC)[C@H]3C)nccc2cc1C(N)=O
InChIInChI=1S/C18H21N3O5/c1-9-13(21-17(23)15(9)25-3)8-26-18-11-7-14(24-2)12(16(19)22)6-10(11)4-5-20-18/h4-7,9,13,15H,8H2,1-3H3,(H2,19,22)(H,21,23)/t9-,13+,15-/m0/s1
InChIKeyLKUUSPGGPIEIDJ-RJIBLYRGSA-N
MW359.38 g/mol
LogP0.87
Rot. Bonds6

About 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide

7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide (PubChem CID 118414586) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
PubChem CID118414586
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
SMILESCOc1cc2c(OC[C@H]3NC(=O)[C@@H](OC)[C@H]3C)nccc2cc1C(N)=O
InChIInChI=1S/C18H21N3O5/c1-9-13(21-17(23)15(9)25-3)8-26-18-11-7-14(24-2)12(16(19)22)6-10(11)4-5-20-18/h4-7,9,13,15H,8H2,1-3H3,(H2,19,22)(H,21,23)/t9-,13+,15-/m0/s1
InChIKeyLKUUSPGGPIEIDJ-RJIBLYRGSA-N
XLogP0.87
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide?
The IUPAC name of 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide (CID 118414586) is 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide is COc1cc2c(OC[C@H]3NC(=O)[C@@H](OC)[C@H]3C)nccc2cc1C(N)=O.
What is the InChIKey of 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide?
The InChIKey is LKUUSPGGPIEIDJ-RJIBLYRGSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-9-13(21-17(23)15(9)25-3)8-26-18-11-7-14(24-2)12(16(19)22)6-10(11)4-5-20-18/h4-7,9,13,15H,8H2,1-3H3,(H2,19,22)(H,21,23)/t9-,13+,15-/m0/s1.
What are the key properties of 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide?
7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-[[(2S,3S,4S)-4-methoxy-3-methyl-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide is sourced from PubChem (CID 118414586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).