2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate

C25H24NO7- — CID 22303333

IUPAC2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate
SMILESCCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1C1CN(C(=O)[O-])CCO1
InChIInChI=1S/C25H25NO7/c1-2-3-15-10-18-21(12-17(15)23-13-26(25(28)29)6-7-30-23)33-14-19(24(18)27)16-4-5-20-22(11-16)32-9-8-31-20/h4-5,10-12,14,23H,2-3,6-9,13H2,1H3,(H,28,29)/p-1
InChIKeyJYGQUPMHBARMAR-UHFFFAOYSA-M
MW450.47 g/mol
LogP2.90
Rot. Bonds4

About 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate (PubChem CID 22303333) has the molecular formula C25H24NO7- and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate
PubChem CID22303333
Molecular FormulaC25H24NO7-
Molecular Weight450.47 g/mol
Exact Mass450.16
IUPAC Name2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate
SMILESCCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1C1CN(C(=O)[O-])CCO1
InChIInChI=1S/C25H25NO7/c1-2-3-15-10-18-21(12-17(15)23-13-26(25(28)29)6-7-30-23)33-14-19(24(18)27)16-4-5-20-22(11-16)32-9-8-31-20/h4-5,10-12,14,23H,2-3,6-9,13H2,1H3,(H,28,29)/p-1
InChIKeyJYGQUPMHBARMAR-UHFFFAOYSA-M
XLogP2.90
TPSA101.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate with MolForge

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Related Compounds

2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylic acid
CID 22303336
ethyl 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl]oxyacetate
CID 1307254
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] 3-cyclopentylpropanoate
CID 4630209
7-[(2-chlorophenyl)methoxy]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylchromen-4-one
CID 4627341
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl] furan-2-carboxylate
CID 1305812
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxochromen-7-yl] morpholine-4-carboxylate
CID 1034249
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetic acid;ethanamine
CID 131664670
propan-2-yl 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-4-oxochromen-7-yl]oxyacetate
CID 2937789
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 4627006
[8-acetyloxy-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] acetate
CID 4176737
[(2S,3R,4R,5R,6R)-3,4,5-triacetyloxy-6-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
CID 98760082
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluorochromen-4-one
CID 728458

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate?
The IUPAC name of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate (CID 22303333) is 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate.
What is the SMILES notation for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate?
The canonical SMILES for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate is CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1C1CN(C(=O)[O-])CCO1.
What is the InChIKey of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate?
The InChIKey is JYGQUPMHBARMAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H25NO7/c1-2-3-15-10-18-21(12-17(15)23-13-26(25(28)29)6-7-30-23)33-14-19(24(18)27)16-4-5-20-22(11-16)32-9-8-31-20/h4-5,10-12,14,23H,2-3,6-9,13H2,1H3,(H,28,29)/p-1.
What are the key properties of 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate?
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate has a molecular weight of 450.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]morpholine-4-carboxylate is sourced from PubChem (CID 22303333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).