N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide

C21H16N2O4 — CID 5308100

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide
SMILESCc1nc2ccccc2c2oc(C(=O)Nc3ccc4c(c3)OCCO4)cc12
InChIInChI=1S/C21H16N2O4/c1-12-15-11-19(27-20(15)14-4-2-3-5-16(14)22-12)21(24)23-13-6-7-17-18(10-13)26-9-8-25-17/h2-7,10-11H,8-9H2,1H3,(H,23,24)
InChIKeyZMGGRWUPMGKAOG-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.31
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide (PubChem CID 5308100) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide
PubChem CID5308100
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide
SMILESCc1nc2ccccc2c2oc(C(=O)Nc3ccc4c(c3)OCCO4)cc12
InChIInChI=1S/C21H16N2O4/c1-12-15-11-19(27-20(15)14-4-2-3-5-16(14)22-12)21(24)23-13-6-7-17-18(10-13)26-9-8-25-17/h2-7,10-11H,8-9H2,1H3,(H,23,24)
InChIKeyZMGGRWUPMGKAOG-UHFFFAOYSA-N
XLogP4.31
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide (CID 5308100) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide is Cc1nc2ccccc2c2oc(C(=O)Nc3ccc4c(c3)OCCO4)cc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide?
The InChIKey is ZMGGRWUPMGKAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-12-15-11-19(27-20(15)14-4-2-3-5-16(14)22-12)21(24)23-13-6-7-17-18(10-13)26-9-8-25-17/h2-7,10-11H,8-9H2,1H3,(H,23,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylfuro[3,2-c]quinoline-2-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 4.31, 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-methylfuro[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5308100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).