N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide

C19H21N3O3 — CID 45489066

IUPACN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide
SMILESCCOc1ccc2nc(NCCNC(=O)c3ccco3)c(C)cc2c1
InChIInChI=1S/C19H21N3O3/c1-3-24-15-6-7-16-14(12-15)11-13(2)18(22-16)20-8-9-21-19(23)17-5-4-10-25-17/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySILGEJLKOUXPFP-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.38
Rot. Bonds7

About N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide

N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide (PubChem CID 45489066) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide
PubChem CID45489066
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide
SMILESCCOc1ccc2nc(NCCNC(=O)c3ccco3)c(C)cc2c1
InChIInChI=1S/C19H21N3O3/c1-3-24-15-6-7-16-14(12-15)11-13(2)18(22-16)20-8-9-21-19(23)17-5-4-10-25-17/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySILGEJLKOUXPFP-UHFFFAOYSA-N
XLogP3.38
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide (CID 45489066) is N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide is CCOc1ccc2nc(NCCNC(=O)c3ccco3)c(C)cc2c1.
What is the InChIKey of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide?
The InChIKey is SILGEJLKOUXPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-24-15-6-7-16-14(12-15)11-13(2)18(22-16)20-8-9-21-19(23)17-5-4-10-25-17/h4-7,10-12H,3,8-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide?
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 45489066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).