N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide

C21H27N3O2 — CID 5307307

IUPACN-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
SMILESCCCCN(CC)CCNC(=O)c1cc2c(C)nc3ccccc3c2o1
InChIInChI=1S/C21H27N3O2/c1-4-6-12-24(5-2)13-11-22-21(25)19-14-17-15(3)23-18-10-8-7-9-16(18)20(17)26-19/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,25)
InChIKeyYJXHHFIAOUNQMZ-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.14
Rot. Bonds8

About N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide

N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide (PubChem CID 5307307) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
PubChem CID5307307
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
SMILESCCCCN(CC)CCNC(=O)c1cc2c(C)nc3ccccc3c2o1
InChIInChI=1S/C21H27N3O2/c1-4-6-12-24(5-2)13-11-22-21(25)19-14-17-15(3)23-18-10-8-7-9-16(18)20(17)26-19/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,25)
InChIKeyYJXHHFIAOUNQMZ-UHFFFAOYSA-N
XLogP4.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide 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 N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide (CID 5307307) is N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide is CCCCN(CC)CCNC(=O)c1cc2c(C)nc3ccccc3c2o1.
What is the InChIKey of N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The InChIKey is YJXHHFIAOUNQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-6-12-24(5-2)13-11-22-21(25)19-14-17-15(3)23-18-10-8-7-9-16(18)20(17)26-19/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide?
N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(ethyl)amino]ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5307307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).