4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide

C21H24N2O4 — CID 86926255

IUPAC4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
SMILESO=C1CCc2cc(OCCCC(=O)NC3CCCc4occc43)ccc2N1
InChIInChI=1S/C21H24N2O4/c24-20(23-18-3-1-4-19-16(18)10-12-27-19)5-2-11-26-15-7-8-17-14(13-15)6-9-21(25)22-17/h7-8,10,12-13,18H,1-6,9,11H2,(H,22,25)(H,23,24)
InChIKeyNYRXVCRNCARFLG-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.52
Rot. Bonds6

About 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide

4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide (PubChem CID 86926255) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide.

Molecular Properties

Compound Name4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
PubChem CID86926255
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
SMILESO=C1CCc2cc(OCCCC(=O)NC3CCCc4occc43)ccc2N1
InChIInChI=1S/C21H24N2O4/c24-20(23-18-3-1-4-19-16(18)10-12-27-19)5-2-11-26-15-7-8-17-14(13-15)6-9-21(25)22-17/h7-8,10,12-13,18H,1-6,9,11H2,(H,22,25)(H,23,24)
InChIKeyNYRXVCRNCARFLG-UHFFFAOYSA-N
XLogP3.52
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The IUPAC name of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide (CID 86926255) is 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide.
What is the SMILES notation for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The canonical SMILES for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide is O=C1CCc2cc(OCCCC(=O)NC3CCCc4occc43)ccc2N1.
What is the InChIKey of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The InChIKey is NYRXVCRNCARFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(23-18-3-1-4-19-16(18)10-12-27-19)5-2-11-26-15-7-8-17-14(13-15)6-9-21(25)22-17/h7-8,10,12-13,18H,1-6,9,11H2,(H,22,25)(H,23,24).
What are the key properties of 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide has a molecular weight of 368.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide is sourced from PubChem (CID 86926255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).