N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide

C23H25N3O3 — CID 162676489

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2cccc3ccc(N4CCCC4)nc23)cc1
InChIInChI=1S/C23H25N3O3/c1-28-19-10-7-17(8-11-19)15-24-22(27)16-29-20-6-4-5-18-9-12-21(25-23(18)20)26-13-2-3-14-26/h4-12H,2-3,13-16H2,1H3,(H,24,27)
InChIKeyDHAAFXRVANTOCO-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.54
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide

N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide (PubChem CID 162676489) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
PubChem CID162676489
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
SMILESCOc1ccc(CNC(=O)COc2cccc3ccc(N4CCCC4)nc23)cc1
InChIInChI=1S/C23H25N3O3/c1-28-19-10-7-17(8-11-19)15-24-22(27)16-29-20-6-4-5-18-9-12-21(25-23(18)20)26-13-2-3-14-26/h4-12H,2-3,13-16H2,1H3,(H,24,27)
InChIKeyDHAAFXRVANTOCO-UHFFFAOYSA-N
XLogP3.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide (CID 162676489) is N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide is COc1ccc(CNC(=O)COc2cccc3ccc(N4CCCC4)nc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The InChIKey is DHAAFXRVANTOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-19-10-7-17(8-11-19)15-24-22(27)16-29-20-6-4-5-18-9-12-21(25-23(18)20)26-13-2-3-14-26/h4-12H,2-3,13-16H2,1H3,(H,24,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide has a molecular weight of 391.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 162676489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).