N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide

C21H16N2O5 — CID 3244823

IUPACN-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NCc4ccc5c(c4)OCO5)oc3nc2c1
InChIInChI=1S/C21H16N2O5/c1-25-15-4-3-13-7-14-8-19(28-21(14)23-16(13)9-15)20(24)22-10-12-2-5-17-18(6-12)27-11-26-17/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyACOMGCASAKQJIO-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.65
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide (PubChem CID 3244823) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
PubChem CID3244823
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NCc4ccc5c(c4)OCO5)oc3nc2c1
InChIInChI=1S/C21H16N2O5/c1-25-15-4-3-13-7-14-8-19(28-21(14)23-16(13)9-15)20(24)22-10-12-2-5-17-18(6-12)27-11-26-17/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyACOMGCASAKQJIO-UHFFFAOYSA-N
XLogP3.65
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide (CID 3244823) is N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide is COc1ccc2cc3cc(C(=O)NCc4ccc5c(c4)OCO5)oc3nc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is ACOMGCASAKQJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-25-15-4-3-13-7-14-8-19(28-21(14)23-16(13)9-15)20(24)22-10-12-2-5-17-18(6-12)27-11-26-17/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-7-methoxyfuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3244823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).