9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide

C20H18N2O4 — CID 43813773

IUPAC9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
SMILESO=C(NCCc1ccccc1)c1c[nH]c2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C20H18N2O4/c23-19-14-10-17-18(26-9-8-25-17)11-16(14)22-12-15(19)20(24)21-7-6-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,21,24)(H,22,23)
InChIKeyYDDOKBVWIJBCDU-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.27
Rot. Bonds4

About 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide

9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide (PubChem CID 43813773) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide.

Molecular Properties

Compound Name9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
PubChem CID43813773
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
SMILESO=C(NCCc1ccccc1)c1c[nH]c2cc3c(cc2c1=O)OCCO3
InChIInChI=1S/C20H18N2O4/c23-19-14-10-17-18(26-9-8-25-17)11-16(14)22-12-15(19)20(24)21-7-6-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,21,24)(H,22,23)
InChIKeyYDDOKBVWIJBCDU-UHFFFAOYSA-N
XLogP2.27
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
CID 43813774
6-amino-N-(2-phenylethyl)-1H-indole-3-carboxamide
CID 61091496
N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
6-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 15995487
6-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 23795791
4-oxo-N-(2-phenylethyl)-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 5210879
6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25210565
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763695
N-[2-(2-phenylethylcarbamoyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18278681
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide?
The IUPAC name of 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide (CID 43813773) is 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide.
What is the SMILES notation for 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide?
The canonical SMILES for 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide is O=C(NCCc1ccccc1)c1c[nH]c2cc3c(cc2c1=O)OCCO3.
What is the InChIKey of 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide?
The InChIKey is YDDOKBVWIJBCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19-14-10-17-18(26-9-8-25-17)11-16(14)22-12-15(19)20(24)21-7-6-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,21,24)(H,22,23).
What are the key properties of 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide?
9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide is sourced from PubChem (CID 43813773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).