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

C18H13NO5 — CID 2395074

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1coc2ccccc2c1=O
InChIInChI=1S/C18H13NO5/c20-17-12-3-1-2-4-14(12)24-10-13(17)18(21)19-11-5-6-15-16(9-11)23-8-7-22-15/h1-6,9-10H,7-8H2,(H,19,21)
InChIKeyGTDJYRVSPHQROT-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.82
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide (PubChem CID 2395074) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide
PubChem CID2395074
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1coc2ccccc2c1=O
InChIInChI=1S/C18H13NO5/c20-17-12-3-1-2-4-14(12)24-10-13(17)18(21)19-11-5-6-15-16(9-11)23-8-7-22-15/h1-6,9-10H,7-8H2,(H,19,21)
InChIKeyGTDJYRVSPHQROT-UHFFFAOYSA-N
XLogP2.82
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
2-(5-butoxy-1-oxo-2-isoquinolinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 23640021
3-Carboxamido coumarin, 30
CID 797192
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl acetate
CID 3155160
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-benzofuran-2-carboxamide
CID 775160
N-(3,4-dihydroxyphenyl)-4-oxochromene-3-carboxamide
CID 24894016
N-(3,4-dihydroxyphenyl)-4-oxochromene-2-carboxamide
CID 25027421
CeMMEC13
CID 110694558

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide (CID 2395074) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1coc2ccccc2c1=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide?
The InChIKey is GTDJYRVSPHQROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c20-17-12-3-1-2-4-14(12)24-10-13(17)18(21)19-11-5-6-15-16(9-11)23-8-7-22-15/h1-6,9-10H,7-8H2,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide has a molecular weight of 323.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 2395074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).