1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one

C22H20N2O3 — CID 170511746

IUPAC1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one
SMILESCc1cc2c(cc1-c1cc(C)c3cc(N4CCCC4=O)ccc3n1)OCO2
InChIInChI=1S/C22H20N2O3/c1-13-8-19(17-11-21-20(9-14(17)2)26-12-27-21)23-18-6-5-15(10-16(13)18)24-7-3-4-22(24)25/h5-6,8-11H,3-4,7,12H2,1-2H3
InChIKeyDPIFBUCROSFPGK-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.37
Rot. Bonds2

About 1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one

1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one (PubChem CID 170511746) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one
PubChem CID170511746
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one
SMILESCc1cc2c(cc1-c1cc(C)c3cc(N4CCCC4=O)ccc3n1)OCO2
InChIInChI=1S/C22H20N2O3/c1-13-8-19(17-11-21-20(9-14(17)2)26-12-27-21)23-18-6-5-15(10-16(13)18)24-7-3-4-22(24)25/h5-6,8-11H,3-4,7,12H2,1-2H3
InChIKeyDPIFBUCROSFPGK-UHFFFAOYSA-N
XLogP4.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]pyrrolidin-2-one
CID 169420701
1-[4-methyl-2-(1,3-thiazol-4-yl)quinolin-6-yl]pyrrolidin-2-one
CID 169422309
formic acid;1-[4-methyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]pyrrolidin-2-one
CID 171339251
1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one
CID 169416106
1-[2-(3-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one
CID 171389313
1-(3-iodo-4-methylphenyl)pyrrolidin-2-one
CID 70646399
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70195701
1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 70517179
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
1-[4-[2-(2-hydroxyphenyl)-4-methylquinolin-6-yl]piperazin-1-yl]ethanone
CID 169422573

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one (CID 170511746) is 1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one is Cc1cc2c(cc1-c1cc(C)c3cc(N4CCCC4=O)ccc3n1)OCO2.
What is the InChIKey of 1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one?
The InChIKey is DPIFBUCROSFPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-13-8-19(17-11-21-20(9-14(17)2)26-12-27-21)23-18-6-5-15(10-16(13)18)24-7-3-4-22(24)25/h5-6,8-11H,3-4,7,12H2,1-2H3.
What are the key properties of 1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one?
1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one has a molecular weight of 360.41 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 170511746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).