3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide

C23H24N2O4 — CID 110331396

IUPAC3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide
SMILESO=C(CCc1cc2cc3c(cc2[nH]c1=O)OCCO3)NCCCc1ccccc1
InChIInChI=1S/C23H24N2O4/c26-22(24-10-4-7-16-5-2-1-3-6-16)9-8-17-13-18-14-20-21(29-12-11-28-20)15-19(18)25-23(17)27/h1-3,5-6,13-15H,4,7-12H2,(H,24,26)(H,25,27)
InChIKeyXRNHNWLTMJARTD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.98
Rot. Bonds7

About 3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide

3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide (PubChem CID 110331396) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide
PubChem CID110331396
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide
SMILESO=C(CCc1cc2cc3c(cc2[nH]c1=O)OCCO3)NCCCc1ccccc1
InChIInChI=1S/C23H24N2O4/c26-22(24-10-4-7-16-5-2-1-3-6-16)9-8-17-13-18-14-20-21(29-12-11-28-20)15-19(18)25-23(17)27/h1-3,5-6,13-15H,4,7-12H2,(H,24,26)(H,25,27)
InChIKeyXRNHNWLTMJARTD-UHFFFAOYSA-N
XLogP2.98
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.98
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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Related Compounds

3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331364
N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331375
N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide
CID 110331408
2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide
CID 110326177
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-phenylpropyl)propanamide
CID 31946678
N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-4-phenoxybutanamide
CID 110325095
N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(2-phenylethyl)propanamide
CID 1467384
benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate
CID 110325114
1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-(2-phenylethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 1146582
2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide
CID 110326153
N-(3-methoxyphenyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331426

Frequently Asked Questions

What is the IUPAC name of 3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide (CID 110331396) is 3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide is O=C(CCc1cc2cc3c(cc2[nH]c1=O)OCCO3)NCCCc1ccccc1.
What is the InChIKey of 3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide?
The InChIKey is XRNHNWLTMJARTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-22(24-10-4-7-16-5-2-1-3-6-16)9-8-17-13-18-14-20-21(29-12-11-28-20)15-19(18)25-23(17)27/h1-3,5-6,13-15H,4,7-12H2,(H,24,26)(H,25,27).
What are the key properties of 3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide?
3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 110331396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).