2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide

C23H21N3O2 — CID 156786207

IUPAC2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H21N3O2/c27-23(25-20-13-19-9-4-5-11-22(19)24-14-20)17-26(16-21-10-6-12-28-21)15-18-7-2-1-3-8-18/h1-14H,15-17H2,(H,25,27)
InChIKeyHMUWJYZUFIRWQO-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.47
Rot. Bonds7

About 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide

2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide (PubChem CID 156786207) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide
PubChem CID156786207
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H21N3O2/c27-23(25-20-13-19-9-4-5-11-22(19)24-14-20)17-26(16-21-10-6-12-28-21)15-18-7-2-1-3-8-18/h1-14H,15-17H2,(H,25,27)
InChIKeyHMUWJYZUFIRWQO-UHFFFAOYSA-N
XLogP4.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide (CID 156786207) is 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide is O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide?
The InChIKey is HMUWJYZUFIRWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-23(25-20-13-19-9-4-5-11-22(19)24-14-20)17-26(16-21-10-6-12-28-21)15-18-7-2-1-3-8-18/h1-14H,15-17H2,(H,25,27).
What are the key properties of 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide?
2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide has a molecular weight of 371.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)amino]-N-quinolin-3-ylacetamide is sourced from PubChem (CID 156786207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).