2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

C21H23N3O3 — CID 2496712

IUPAC2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H23N3O3/c25-21(22-8-4-9-24-10-13-26-14-11-24)17-15-19(20-7-3-12-27-20)23-18-6-2-1-5-16(17)18/h1-3,5-7,12,15H,4,8-11,13-14H2,(H,22,25)
InChIKeyDRNYSEMIHJRTES-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.95
Rot. Bonds6

About 2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (PubChem CID 2496712) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
PubChem CID2496712
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H23N3O3/c25-21(22-8-4-9-24-10-13-26-14-11-24)17-15-19(20-7-3-12-27-20)23-18-6-2-1-5-16(17)18/h1-3,5-7,12,15H,4,8-11,13-14H2,(H,22,25)
InChIKeyDRNYSEMIHJRTES-UHFFFAOYSA-N
XLogP2.95
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
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 2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (CID 2496712) is 2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The InChIKey is DRNYSEMIHJRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-21(22-8-4-9-24-10-13-26-14-11-24)17-15-19(20-7-3-12-27-20)23-18-6-2-1-5-16(17)18/h1-3,5-7,12,15H,4,8-11,13-14H2,(H,22,25).
What are the key properties of 2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 2496712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).