2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide

C26H27N3O4 — CID 166220259

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCC(CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)N1CCCCC1=O
InChIInChI=1S/C26H27N3O4/c1-17(29-11-5-4-8-25(29)30)16-27-26(31)20-15-22(28-21-7-3-2-6-19(20)21)18-9-10-23-24(14-18)33-13-12-32-23/h2-3,6-7,9-10,14-15,17H,4-5,8,11-13,16H2,1H3,(H,27,31)
InChIKeyWBSOZOOJRYQAEV-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.80
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide (PubChem CID 166220259) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide
PubChem CID166220259
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCC(CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)N1CCCCC1=O
InChIInChI=1S/C26H27N3O4/c1-17(29-11-5-4-8-25(29)30)16-27-26(31)20-15-22(28-21-7-3-2-6-19(20)21)18-9-10-23-24(14-18)33-13-12-32-23/h2-3,6-7,9-10,14-15,17H,4-5,8,11-13,16H2,1H3,(H,27,31)
InChIKeyWBSOZOOJRYQAEV-UHFFFAOYSA-N
XLogP3.80
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
CID 78856708
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
CID 51172531
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 119615610
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800068
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784
2-hydroxy-N-[2-(2-oxopiperidin-1-yl)propyl]benzamide
CID 167899513
N-[(3-carbamoylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 32637632
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3532105
N-[(2S)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-2-phenylquinoline-4-carboxamide
CID 95787883
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]quinoline-4-carboxamide
CID 46536558

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide (CID 166220259) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide is CC(CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12)N1CCCCC1=O.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide?
The InChIKey is WBSOZOOJRYQAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-17(29-11-5-4-8-25(29)30)16-27-26(31)20-15-22(28-21-7-3-2-6-19(20)21)18-9-10-23-24(14-18)33-13-12-32-23/h2-3,6-7,9-10,14-15,17H,4-5,8,11-13,16H2,1H3,(H,27,31).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 166220259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).