2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide

C22H22N2O4 — CID 51172531

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C22H22N2O4/c1-14(13-26-2)23-22(25)17-12-19(24-18-6-4-3-5-16(17)18)15-7-8-20-21(11-15)28-10-9-27-20/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,23,25)
InChIKeySAQQSVGFHXZBFL-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.44
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide (PubChem CID 51172531) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
PubChem CID51172531
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
SMILESCOCC(C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C22H22N2O4/c1-14(13-26-2)23-22(25)17-12-19(24-18-6-4-3-5-16(17)18)15-7-8-20-21(11-15)28-10-9-27-20/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,23,25)
InChIKeySAQQSVGFHXZBFL-UHFFFAOYSA-N
XLogP3.44
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
CID 78856708
N-(2-amino-1-cyclopropylethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 119615610
2-(1,3-benzodioxol-5-yl)-N-heptan-4-ylquinoline-4-carboxamide
CID 46098215
2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carbonyl chloride
CID 46779784
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 166220259
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 112818191
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]quinoline-4-carboxamide
CID 46536558
N-[(2R)-butan-2-yl]-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30476728
N-[(3-carbamoylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 32637632
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 40811970
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide (CID 51172531) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide is COCC(C)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide?
The InChIKey is SAQQSVGFHXZBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(13-26-2)23-22(25)17-12-19(24-18-6-4-3-5-16(17)18)15-7-8-20-21(11-15)28-10-9-27-20/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.44, 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-(1-methoxypropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 51172531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).