[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate

C25H26N4O4S — CID 175222598

IUPAC[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate
SMILESCOc1cnc2c(-c3nc4ccc5c(c4s3)CC(COC(=O)NCC(C)C)O5)cc(C)cc2n1
InChIInChI=1S/C25H26N4O4S/c1-13(2)10-27-25(30)32-12-15-9-16-20(33-15)6-5-18-23(16)34-24(29-18)17-7-14(3)8-19-22(17)26-11-21(28-19)31-4/h5-8,11,13,15H,9-10,12H2,1-4H3,(H,27,30)
InChIKeyLPBGHXCEIDUYIB-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.91
Rot. Bonds6

About [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate

[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate (PubChem CID 175222598) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate
PubChem CID175222598
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate
SMILESCOc1cnc2c(-c3nc4ccc5c(c4s3)CC(COC(=O)NCC(C)C)O5)cc(C)cc2n1
InChIInChI=1S/C25H26N4O4S/c1-13(2)10-27-25(30)32-12-15-9-16-20(33-15)6-5-18-23(16)34-24(29-18)17-7-14(3)8-19-22(17)26-11-21(28-19)31-4/h5-8,11,13,15H,9-10,12H2,1-4H3,(H,27,30)
InChIKeyLPBGHXCEIDUYIB-UHFFFAOYSA-N
XLogP4.91
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate?
The IUPAC name of [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate (CID 175222598) is [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate.
What is the SMILES notation for [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate?
The canonical SMILES for [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate is COc1cnc2c(-c3nc4ccc5c(c4s3)CC(COC(=O)NCC(C)C)O5)cc(C)cc2n1.
What is the InChIKey of [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate?
The InChIKey is LPBGHXCEIDUYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-13(2)10-27-25(30)32-12-15-9-16-20(33-15)6-5-18-23(16)34-24(29-18)17-7-14(3)8-19-22(17)26-11-21(28-19)31-4/h5-8,11,13,15H,9-10,12H2,1-4H3,(H,27,30).
What are the key properties of [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate?
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate has a molecular weight of 478.57 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate is sourced from PubChem (CID 175222598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).