N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide

C24H27N3O3S — CID 45185104

IUPACN-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide
SMILESCOc1ccc(CN(C)C(=O)CCC2(Cc3ccsc3)CCC(=O)N2)c2cccnc12
InChIInChI=1S/C24H27N3O3S/c1-27(15-18-5-6-20(30-2)23-19(18)4-3-12-25-23)22(29)8-11-24(10-7-21(28)26-24)14-17-9-13-31-16-17/h3-6,9,12-13,16H,7-8,10-11,14-15H2,1-2H3,(H,26,28)
InChIKeyZRYXIJXARBWPDD-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.93
Rot. Bonds8

About N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide

N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide (PubChem CID 45185104) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide
PubChem CID45185104
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide
SMILESCOc1ccc(CN(C)C(=O)CCC2(Cc3ccsc3)CCC(=O)N2)c2cccnc12
InChIInChI=1S/C24H27N3O3S/c1-27(15-18-5-6-20(30-2)23-19(18)4-3-12-25-23)22(29)8-11-24(10-7-21(28)26-24)14-17-9-13-31-16-17/h3-6,9,12-13,16H,7-8,10-11,14-15H2,1-2H3,(H,26,28)
InChIKeyZRYXIJXARBWPDD-UHFFFAOYSA-N
XLogP3.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 125161883
3-[(2S)-2-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 26349743
3-(2-benzyl-5-oxopyrrolidin-2-yl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 45244552
3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 135892921
3-[2-[3-[methyl(quinolin-4-ylmethyl)amino]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91765299
N-methyl-3-[2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(quinoxalin-6-ylmethyl)propanamide
CID 45208504
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2S)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 42342953
N-ethyl-N-(2-hydroxyethyl)-3-[(2R)-2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42167605
3-[2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)propanamide
CID 45185306
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 77092764
N-[(4-ethylphenyl)methyl]-3-[(2S)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methylpropanamide
CID 42163266
N-methyl-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 126463504

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide?
The IUPAC name of N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide (CID 45185104) is N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide?
The canonical SMILES for N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide is COc1ccc(CN(C)C(=O)CCC2(Cc3ccsc3)CCC(=O)N2)c2cccnc12.
What is the InChIKey of N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide?
The InChIKey is ZRYXIJXARBWPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-27(15-18-5-6-20(30-2)23-19(18)4-3-12-25-23)22(29)8-11-24(10-7-21(28)26-24)14-17-9-13-31-16-17/h3-6,9,12-13,16H,7-8,10-11,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide?
N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide has a molecular weight of 437.57 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-5-yl)methyl]-N-methyl-3-[5-oxo-2-(thiophen-3-ylmethyl)pyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45185104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).