1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one

C24H26N2O3 — CID 169416106

IUPAC1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one
SMILESCc1cc(-c2ccc(OC(C)C)c(CO)c2)nc2ccc(N3CCCC3=O)cc12
InChIInChI=1S/C24H26N2O3/c1-15(2)29-23-9-6-17(12-18(23)14-27)22-11-16(3)20-13-19(7-8-21(20)25-22)26-10-4-5-24(26)28/h6-9,11-13,15,27H,4-5,10,14H2,1-3H3
InChIKeyVXOKEUQAMYKCBC-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.62
Rot. Bonds5

About 1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one

1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one (PubChem CID 169416106) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one
PubChem CID169416106
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one
SMILESCc1cc(-c2ccc(OC(C)C)c(CO)c2)nc2ccc(N3CCCC3=O)cc12
InChIInChI=1S/C24H26N2O3/c1-15(2)29-23-9-6-17(12-18(23)14-27)22-11-16(3)20-13-19(7-8-21(20)25-22)26-10-4-5-24(26)28/h6-9,11-13,15,27H,4-5,10,14H2,1-3H3
InChIKeyVXOKEUQAMYKCBC-UHFFFAOYSA-N
XLogP4.62
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
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-(6-methyl-1,3-benzodioxol-5-yl)quinolin-6-yl]pyrrolidin-2-one
CID 170511746
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-hydroxy-4,5-dimethoxyphenyl)-4-methylquinolin-7-yl]pyrrolidin-2-one
CID 171389313
2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide
CID 169412700
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498449
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 51172435
1-[4-[2-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 94819626
1-[4-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 48826366
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one (CID 169416106) is 1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one is Cc1cc(-c2ccc(OC(C)C)c(CO)c2)nc2ccc(N3CCCC3=O)cc12.
What is the InChIKey of 1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one?
The InChIKey is VXOKEUQAMYKCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-15(2)29-23-9-6-17(12-18(23)14-27)22-11-16(3)20-13-19(7-8-21(20)25-22)26-10-4-5-24(26)28/h6-9,11-13,15,27H,4-5,10,14H2,1-3H3.
What are the key properties of 1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one?
1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one has a molecular weight of 390.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 169416106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).