N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide

C20H24ClN3O2 — CID 20853914

IUPACN-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide
SMILESCCCCN(CC)CCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1
InChIInChI=1S/C20H24ClN3O2/c1-3-5-9-24(4-2)10-8-22-19(25)18-12-15-11-14-6-7-16(21)13-17(14)23-20(15)26-18/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,22,25)
InChIKeyNSUTZYWPPSGRMD-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.49
Rot. Bonds8

About N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide

N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide (PubChem CID 20853914) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide
PubChem CID20853914
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide
SMILESCCCCN(CC)CCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1
InChIInChI=1S/C20H24ClN3O2/c1-3-5-9-24(4-2)10-8-22-19(25)18-12-15-11-14-6-7-16(21)13-17(14)23-20(15)26-18/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,22,25)
InChIKeyNSUTZYWPPSGRMD-UHFFFAOYSA-N
XLogP4.49
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide (CID 20853914) is N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide is CCCCN(CC)CCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1.
What is the InChIKey of N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is NSUTZYWPPSGRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-5-9-24(4-2)10-8-22-19(25)18-12-15-11-14-6-7-16(21)13-17(14)23-20(15)26-18/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide?
N-[2-[butyl(ethyl)amino]ethyl]-7-chlorofuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 4.49, 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]-7-chlorofuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20853914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).