N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide

C24H27N3O3 — CID 651744

IUPACN-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C24H27N3O3/c1-2-30-21-10-11-22-19(15-21)14-20(23(28)25-22)17-27(16-18-8-4-3-5-9-18)24(29)26-12-6-7-13-26/h3-5,8-11,14-15H,2,6-7,12-13,16-17H2,1H3,(H,25,28)
InChIKeyBELBPMXMKXFALD-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.14
Rot. Bonds6

About N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide

N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 651744) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID651744
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCCC3)cc2c1
InChIInChI=1S/C24H27N3O3/c1-2-30-21-10-11-22-19(15-21)14-20(23(28)25-22)17-27(16-18-8-4-3-5-9-18)24(29)26-12-6-7-13-26/h3-5,8-11,14-15H,2,6-7,12-13,16-17H2,1H3,(H,25,28)
InChIKeyBELBPMXMKXFALD-UHFFFAOYSA-N
XLogP4.14
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide (CID 651744) is N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide is CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCCC3)cc2c1.
What is the InChIKey of N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is BELBPMXMKXFALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-30-21-10-11-22-19(15-21)14-20(23(28)25-22)17-27(16-18-8-4-3-5-9-18)24(29)26-12-6-7-13-26/h3-5,8-11,14-15H,2,6-7,12-13,16-17H2,1H3,(H,25,28).
What are the key properties of N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide?
N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 651744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).