3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one

C24H22N2O5 — CID 16613531

IUPAC3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C24H22N2O5/c27-22(17-5-6-20-21(14-17)31-12-11-30-20)15-7-9-26(10-8-15)24(29)18-13-16-3-1-2-4-19(16)25-23(18)28/h1-6,13-15H,7-12H2,(H,25,28)
InChIKeyJDTHXXXFHYZZIP-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.03
Rot. Bonds3

About 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one

3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 16613531) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID16613531
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C24H22N2O5/c27-22(17-5-6-20-21(14-17)31-12-11-30-20)15-7-9-26(10-8-15)24(29)18-13-16-3-1-2-4-19(16)25-23(18)28/h1-6,13-15H,7-12H2,(H,25,28)
InChIKeyJDTHXXXFHYZZIP-UHFFFAOYSA-N
XLogP3.03
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide
CID 16590027
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
3-(1H-benzimidazol-2-yl)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propan-1-one
CID 17493370
[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 25482181
7-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione
CID 55813211
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(6-methyl-2-phenylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 16606397
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 33369256
3-[3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione
CID 41311004
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119518541
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]methanone
CID 33184078
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(9H-fluoren-9-yl)piperidin-4-yl]methanone
CID 52679341

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one (CID 16613531) is 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one is O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is JDTHXXXFHYZZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c27-22(17-5-6-20-21(14-17)31-12-11-30-20)15-7-9-26(10-8-15)24(29)18-13-16-3-1-2-4-19(16)25-23(18)28/h1-6,13-15H,7-12H2,(H,25,28).
What are the key properties of 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 418.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 16613531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).