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

C27H22FN5O5S — CID 139580277

IUPAC[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate
SMILESCOc1cncc(NC(=O)OCC2Cc3c(c(F)cc4nc(-c5cc(C)cc6nc(OC)cnc56)sc34)O2)c1
InChIInChI=1S/C27H22FN5O5S/c1-13-4-17(23-20(5-13)32-22(36-3)11-30-23)26-33-21-8-19(28)24-18(25(21)39-26)7-16(38-24)12-37-27(34)31-14-6-15(35-2)10-29-9-14/h4-6,8-11,16H,7,12H2,1-3H3,(H,31,34)
InChIKeyFMWAKDDCCAYRFB-UHFFFAOYSA-N
MW547.57 g/mol
LogP5.32
Rot. Bonds6

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

[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate (PubChem CID 139580277) has the molecular formula C27H22FN5O5S and a molecular weight of 547.57 g/mol. Its IUPAC name is [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate.

Molecular Properties

Compound Name[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate
PubChem CID139580277
Molecular FormulaC27H22FN5O5S
Molecular Weight547.57 g/mol
Exact Mass547.13
IUPAC Name[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate
SMILESCOc1cncc(NC(=O)OCC2Cc3c(c(F)cc4nc(-c5cc(C)cc6nc(OC)cnc56)sc34)O2)c1
InChIInChI=1S/C27H22FN5O5S/c1-13-4-17(23-20(5-13)32-22(36-3)11-30-23)26-33-21-8-19(28)24-18(25(21)39-26)7-16(38-24)12-37-27(34)31-14-6-15(35-2)10-29-9-14/h4-6,8-11,16H,7,12H2,1-3H3,(H,31,34)
InChIKeyFMWAKDDCCAYRFB-UHFFFAOYSA-N
XLogP5.32
TPSA117.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.57
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate with MolForge

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Related Compounds

[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-[2-(2-hydroxyethyl)pyrimidin-5-yl]carbamate
CID 139579973
[(7S)-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2,2,2-trifluoroethyl)carbamate
CID 175222594
[(7R)-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(3-fluoro-5-isocyanophenyl)carbamate
CID 153438850
2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
CID 139580205
2-methylpropyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
CID 134174723
[(7R)-2-(2-methoxy-7-methylquinoxalin-5-yl)-4-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-7-yl]methyl N-(6-fluoro-5-methyl-3-pyridinyl)carbamate
CID 134175115
[2-(2-methoxy-7-methylquinoxalin-5-yl)-4-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-7-yl]methyl N-(6-fluoro-5-methyl-3-pyridinyl)carbamate
CID 134174996
[(7R)-2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134175013
[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
[(7R)-2-(2-ethoxy-7-methylquinoxalin-5-yl)-5-fluoro-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(2-methylpyrimidin-5-yl)carbamic acid
CID 155057511
[(7S,8S)-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-8-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methylcarbamic acid
CID 139580070
[(2R,3S)-3-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]butan-2-yl] N-[5-(2-hydroxyethoxy)-3-pyridinyl]carbamate
CID 139522556

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate?
The IUPAC name of [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate (CID 139580277) is [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate.
What is the SMILES notation for [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate?
The canonical SMILES for [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate is COc1cncc(NC(=O)OCC2Cc3c(c(F)cc4nc(-c5cc(C)cc6nc(OC)cnc56)sc34)O2)c1.
What is the InChIKey of [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate?
The InChIKey is FMWAKDDCCAYRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O5S/c1-13-4-17(23-20(5-13)32-22(36-3)11-30-23)26-33-21-8-19(28)24-18(25(21)39-26)7-16(38-24)12-37-27(34)31-14-6-15(35-2)10-29-9-14/h4-6,8-11,16H,7,12H2,1-3H3,(H,31,34).
What are the key properties of [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate?
[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate has a molecular weight of 547.57 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(5-methoxy-3-pyridinyl)carbamate is sourced from PubChem (CID 139580277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).