[9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate

C19H15N3O6 — CID 14819622

IUPAC[9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)[nH]c(=O)c1c3ccc(OC(=O)NC)cc3oc21
InChIInChI=1S/C19H15N3O6/c1-20-18(24)26-9-3-5-11-13(7-9)22-17(23)15-12-6-4-10(27-19(25)21-2)8-14(12)28-16(11)15/h3-8H,1-2H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyVIVMZPQNAUJVMZ-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.86
Rot. Bonds2

About [9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate

[9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate (PubChem CID 14819622) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is [9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate.

Molecular Properties

Compound Name[9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate
PubChem CID14819622
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name[9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)[nH]c(=O)c1c3ccc(OC(=O)NC)cc3oc21
InChIInChI=1S/C19H15N3O6/c1-20-18(24)26-9-3-5-11-13(7-9)22-17(23)15-12-6-4-10(27-19(25)21-2)8-14(12)28-16(11)15/h3-8H,1-2H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyVIVMZPQNAUJVMZ-UHFFFAOYSA-N
XLogP2.86
TPSA122.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate?
The IUPAC name of [9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate (CID 14819622) is [9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate.
What is the SMILES notation for [9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate?
The canonical SMILES for [9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate is CNC(=O)Oc1ccc2c(c1)[nH]c(=O)c1c3ccc(OC(=O)NC)cc3oc21.
What is the InChIKey of [9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate?
The InChIKey is VIVMZPQNAUJVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6/c1-20-18(24)26-9-3-5-11-13(7-9)22-17(23)15-12-6-4-10(27-19(25)21-2)8-14(12)28-16(11)15/h3-8H,1-2H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of [9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate?
[9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate has a molecular weight of 381.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(methylcarbamoyloxy)-6-oxo-5H-[1]benzofuro[3,2-c]quinolin-3-yl] N-methylcarbamate is sourced from PubChem (CID 14819622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).