1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate

C19H17NO5 — CID 31038351

IUPAC1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
SMILESO=C(CC[C@@H]1Cc2ccccc2NC1=O)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C19H17NO5/c21-18(25-14-6-7-16-17(10-14)24-11-23-16)8-5-13-9-12-3-1-2-4-15(12)20-19(13)22/h1-4,6-7,10,13H,5,8-9,11H2,(H,20,22)/t13-/m1/s1
InChIKeyKQIMSKKKJUZPDO-CYBMUJFWSA-N
MW339.35 g/mol
LogP2.91
Rot. Bonds4

About 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate

1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate (PubChem CID 31038351) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
PubChem CID31038351
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
SMILESO=C(CC[C@@H]1Cc2ccccc2NC1=O)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C19H17NO5/c21-18(25-14-6-7-16-17(10-14)24-11-23-16)8-5-13-9-12-3-1-2-4-15(12)20-19(13)22/h1-4,6-7,10,13H,5,8-9,11H2,(H,20,22)/t13-/m1/s1
InChIKeyKQIMSKKKJUZPDO-CYBMUJFWSA-N
XLogP2.91
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate 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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 25473622
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 134051540
(4-bromo-2-chlorophenyl) 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
CID 26262429
1,3-benzodioxol-5-yl 3-(1,3-benzodioxol-5-yloxy)propanoate
CID 155681715
cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
CID 31038327
phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 166220494
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615604
1,3-benzodioxol-5-yl 6-(1,3-benzodioxol-5-yloxy)hexanoate
CID 155681721
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
1,3-benzodioxol-5-yl 2-aminoacetate
CID 82112116
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 51862890
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111543322

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate?
The IUPAC name of 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate (CID 31038351) is 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate.
What is the SMILES notation for 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate?
The canonical SMILES for 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate is O=C(CC[C@@H]1Cc2ccccc2NC1=O)Oc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate?
The InChIKey is KQIMSKKKJUZPDO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17NO5/c21-18(25-14-6-7-16-17(10-14)24-11-23-16)8-5-13-9-12-3-1-2-4-15(12)20-19(13)22/h1-4,6-7,10,13H,5,8-9,11H2,(H,20,22)/t13-/m1/s1.
What are the key properties of 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate?
1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate has a molecular weight of 339.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate is sourced from PubChem (CID 31038351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).