3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one

C19H24N2O3 — CID 166972512

IUPAC3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one
SMILESCc1cc2ccnc(OCC3CC(C)C(=O)N3)c2cc1OC(C)C
InChIInChI=1S/C19H24N2O3/c1-11(2)24-17-9-16-14(7-12(17)3)5-6-20-19(16)23-10-15-8-13(4)18(22)21-15/h5-7,9,11,13,15H,8,10H2,1-4H3,(H,21,22)
InChIKeyUQVLJCWRGPHXSI-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.23
Rot. Bonds5

About 3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one

3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one (PubChem CID 166972512) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one
PubChem CID166972512
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one
SMILESCc1cc2ccnc(OCC3CC(C)C(=O)N3)c2cc1OC(C)C
InChIInChI=1S/C19H24N2O3/c1-11(2)24-17-9-16-14(7-12(17)3)5-6-20-19(16)23-10-15-8-13(4)18(22)21-15/h5-7,9,11,13,15H,8,10H2,1-4H3,(H,21,22)
InChIKeyUQVLJCWRGPHXSI-UHFFFAOYSA-N
XLogP3.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one
CID 166972479
1-[[(2S,4R)-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414884
1-[[(2S,4S)-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414742
1-[2-[(2S)-4-methyl-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 139460860
1-[(4-ethyl-5-oxopyrrolidin-2-yl)methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 166972371
1-[[(2S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 134214164
1-[[(2S,4R)-4-fluoro-4-methyl-5-oxopyrrolidin-2-yl]methoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 118414670
1-(oxolan-2-ylmethoxy)-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 166972445
1-[2-[(2S,4S)-5-oxo-4-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 139460969
7-methoxy-1-[[(2S,4S)-4-(oxetan-3-yl)-5-oxopyrrolidin-2-yl]methoxy]isoquinoline-6-carboxamide
CID 118414738
1-[2-[(2S)-4-(3-hydroxyoxetan-3-yl)-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 134490785
1-[2-[(2S)-5-oxopyrrolidin-2-yl]ethoxy]-7-propan-2-yloxyisoquinoline-6-carboxamide
CID 134214180

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one?
The IUPAC name of 3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one (CID 166972512) is 3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one is Cc1cc2ccnc(OCC3CC(C)C(=O)N3)c2cc1OC(C)C.
What is the InChIKey of 3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one?
The InChIKey is UQVLJCWRGPHXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-11(2)24-17-9-16-14(7-12(17)3)5-6-20-19(16)23-10-15-8-13(4)18(22)21-15/h5-7,9,11,13,15H,8,10H2,1-4H3,(H,21,22).
What are the key properties of 3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one?
3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(6-methyl-7-propan-2-yloxyisoquinolin-1-yl)oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 166972512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).