N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide

C18H19ClN2O2 — CID 15993344

IUPACN-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2cc3ccc(Cl)cc3nc2o1
InChIInChI=1S/C18H19ClN2O2/c1-3-5-8-21(4-2)18(22)16-10-13-9-12-6-7-14(19)11-15(12)20-17(13)23-16/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeySOUYPAJCUUWYHM-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.90
Rot. Bonds5

About N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide

N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide (PubChem CID 15993344) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide
PubChem CID15993344
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide
SMILESCCCCN(CC)C(=O)c1cc2cc3ccc(Cl)cc3nc2o1
InChIInChI=1S/C18H19ClN2O2/c1-3-5-8-21(4-2)18(22)16-10-13-9-12-6-7-14(19)11-15(12)20-17(13)23-16/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeySOUYPAJCUUWYHM-UHFFFAOYSA-N
XLogP4.90
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide (CID 15993344) is N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide is CCCCN(CC)C(=O)c1cc2cc3ccc(Cl)cc3nc2o1.
What is the InChIKey of N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is SOUYPAJCUUWYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-5-8-21(4-2)18(22)16-10-13-9-12-6-7-14(19)11-15(12)20-17(13)23-16/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide?
N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-chloro-N-ethylfuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 15993344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).