2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide

C23H17N3O3 — CID 17372199

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C23H17N3O3/c27-23(25-16-7-9-24-10-8-16)18-14-20(26-19-4-2-1-3-17(18)19)15-5-6-21-22(13-15)29-12-11-28-21/h1-10,13-14H,11-12H2,(H,24,25,27)
InChIKeyMLMUDRHKUIOAGG-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.32
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 17372199) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
PubChem CID17372199
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccncc1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C23H17N3O3/c27-23(25-16-7-9-24-10-8-16)18-14-20(26-19-4-2-1-3-17(18)19)15-5-6-21-22(13-15)29-12-11-28-21/h1-10,13-14H,11-12H2,(H,24,25,27)
InChIKeyMLMUDRHKUIOAGG-UHFFFAOYSA-N
XLogP4.32
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]quinoline-4-carboxamide
CID 46536558
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 27649831
2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 5212111
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784
2-(1,3-benzodioxol-5-yl)-N-(3-ethylphenyl)quinoline-4-carboxamide
CID 3540981
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
CID 78856708
N-(2-acetylphenyl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide
CID 1261906
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1000925
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)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
CID 51172531
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512652
N-[(3-carbamoylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 32637632

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide (CID 17372199) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1ccncc1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is MLMUDRHKUIOAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-23(25-16-7-9-24-10-8-16)18-14-20(26-19-4-2-1-3-17(18)19)15-5-6-21-22(13-15)29-12-11-28-21/h1-10,13-14H,11-12H2,(H,24,25,27).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.32, 3 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-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 17372199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).