2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide

C18H21N3O2 — CID 97003081

IUPAC2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C18H21N3O2/c1-11-14-6-4-5-7-16(14)19-12(2)15(11)9-17(22)20-13-8-18(23)21(3)10-13/h4-7,13H,8-10H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyODPSVDZYWBXFLN-CYBMUJFWSA-N
MW311.38 g/mol
LogP1.74
Rot. Bonds3

About 2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide

2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 97003081) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide
PubChem CID97003081
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C18H21N3O2/c1-11-14-6-4-5-7-16(14)19-12(2)15(11)9-17(22)20-13-8-18(23)21(3)10-13/h4-7,13H,8-10H2,1-3H3,(H,20,22)/t13-/m1/s1
InChIKeyODPSVDZYWBXFLN-CYBMUJFWSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide (CID 97003081) is 2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide is Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CC(=O)N(C)C1.
What is the InChIKey of 2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is ODPSVDZYWBXFLN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-14-6-4-5-7-16(14)19-12(2)15(11)9-17(22)20-13-8-18(23)21(3)10-13/h4-7,13H,8-10H2,1-3H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide?
2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylquinolin-3-yl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 97003081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).