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

C21H20N2O4 — CID 78856708

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C21H20N2O4/c1-13(12-24)22-21(25)16-11-18(23-17-5-3-2-4-15(16)17)14-6-7-19-20(10-14)27-9-8-26-19/h2-7,10-11,13,24H,8-9,12H2,1H3,(H,22,25)
InChIKeyMSYZYTDSFZMGPW-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.78
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide (PubChem CID 78856708) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
PubChem CID78856708
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide
SMILESCC(CO)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12
InChIInChI=1S/C21H20N2O4/c1-13(12-24)22-21(25)16-11-18(23-17-5-3-2-4-15(16)17)14-6-7-19-20(10-14)27-9-8-26-19/h2-7,10-11,13,24H,8-9,12H2,1H3,(H,22,25)
InChIKeyMSYZYTDSFZMGPW-UHFFFAOYSA-N
XLogP2.78
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
CID 51172531
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
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 112818191
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
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]quinoline-4-carboxamide
CID 46536558
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-[(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
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1028519

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide (CID 78856708) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide is CC(CO)NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide?
The InChIKey is MSYZYTDSFZMGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13(12-24)22-21(25)16-11-18(23-17-5-3-2-4-15(16)17)14-6-7-19-20(10-14)27-9-8-26-19/h2-7,10-11,13,24H,8-9,12H2,1H3,(H,22,25).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-hydroxypropan-2-yl)quinoline-4-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 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-hydroxypropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 78856708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).