N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide

C26H31N3O4 — CID 650755

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C26H31N3O4/c1-18-7-6-8-20-16-21(25(30)27-24(18)20)17-29(26(31)28-12-4-5-13-28)14-11-19-9-10-22(32-2)23(15-19)33-3/h6-10,15-16H,4-5,11-14,17H2,1-3H3,(H,27,30)
InChIKeyZANNOZGEVZSSOJ-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 650755) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID650755
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C26H31N3O4/c1-18-7-6-8-20-16-21(25(30)27-24(18)20)17-29(26(31)28-12-4-5-13-28)14-11-19-9-10-22(32-2)23(15-19)33-3/h6-10,15-16H,4-5,11-14,17H2,1-3H3,(H,27,30)
InChIKeyZANNOZGEVZSSOJ-UHFFFAOYSA-N
XLogP4.11
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2891286
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920590
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 3,4-dimethoxy-benzylamide
CID 54683760
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxo-1-propyl-1,4-dihydroquinoline-3-carboxamide
CID 54706880
Pyrrolidine-1-carboxylic acid [2-(3,4-dimethoxy-phenyl)-ethyl]-(6-methyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amide
CID 646367
1-(6,7-Dimethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-(2-methoxy-phenyl)-1-(tetrahydro-furan-2-ylmethyl)-urea
CID 651956
N-Benzo[1,3]dioxol-5-ylmethyl-N-(6-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-acetamide
CID 652403
3-Cyclohexyl-1-cyclopentyl-1-(6,7-dimethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-urea
CID 655813
3-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-N-(2,4,6-trimethyl-phenyl)-propionamide
CID 1069133
1-(6,7-Dimethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-methyl-1-phenethyl-thiourea
CID 1166348
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 1339666
3-[5-(3,4-dimethoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylpropanamide
CID 1365629

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide (CID 650755) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide is COc1ccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is ZANNOZGEVZSSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18-7-6-8-20-16-21(25(30)27-24(18)20)17-29(26(31)28-12-4-5-13-28)14-11-19-9-10-22(32-2)23(15-19)33-3/h6-10,15-16H,4-5,11-14,17H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 650755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).