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

C18H22N2O5 — CID 110331364

IUPACN-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
SMILESCOCCCNC(=O)CCc1cc2cc3c(cc2[nH]c1=O)OCCO3
InChIInChI=1S/C18H22N2O5/c1-23-6-2-5-19-17(21)4-3-12-9-13-10-15-16(25-8-7-24-15)11-14(13)20-18(12)22/h9-11H,2-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyREXJKHDSOQENIN-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.38
Rot. Bonds7

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

N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide (PubChem CID 110331364) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
PubChem CID110331364
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
SMILESCOCCCNC(=O)CCc1cc2cc3c(cc2[nH]c1=O)OCCO3
InChIInChI=1S/C18H22N2O5/c1-23-6-2-5-19-17(21)4-3-12-9-13-10-15-16(25-8-7-24-15)11-14(13)20-18(12)22/h9-11H,2-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyREXJKHDSOQENIN-UHFFFAOYSA-N
XLogP1.38
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide
CID 110331396
N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331375
2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide
CID 110326153
2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide
CID 110326177
N-(3-methoxyphenyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331426
N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-4-phenoxybutanamide
CID 110325095
1-(3-hydroxypropyl)-3-(3-methoxypropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]thiourea
CID 3175676
1-[2-(dimethylamino)ethyl]-3-(3-methoxypropyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]thiourea
CID 4187521
N-methyl-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-phenylpropanamide
CID 110331408
1-cyclohexyl-3-(2-methoxyethyl)-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea
CID 3176157
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(4,4-dimethylpentyl)propanamide
CID 110617828
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide (CID 110331364) is N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide is COCCCNC(=O)CCc1cc2cc3c(cc2[nH]c1=O)OCCO3.
What is the InChIKey of N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide?
The InChIKey is REXJKHDSOQENIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-23-6-2-5-19-17(21)4-3-12-9-13-10-15-16(25-8-7-24-15)11-14(13)20-18(12)22/h9-11H,2-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide?
N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide has a molecular weight of 346.38 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide is sourced from PubChem (CID 110331364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).