[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid

C26H26N4O5S — CID 139580120

IUPAC[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid
SMILESCOc1cnc2c(-c3nc4ccc5c(c4s3)CC(CN(C(=O)O)C3CCOCC3)O5)cc(C)cc2n1
InChIInChI=1S/C26H26N4O5S/c1-14-9-18(23-20(10-14)28-22(33-2)12-27-23)25-29-19-3-4-21-17(24(19)36-25)11-16(35-21)13-30(26(31)32)15-5-7-34-8-6-15/h3-4,9-10,12,15-16H,5-8,11,13H2,1-2H3,(H,31,32)
InChIKeyBKVZCXGHBCBUQX-UHFFFAOYSA-N
MW506.58 g/mol
LogP4.69
Rot. Bonds5

About [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid

[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid (PubChem CID 139580120) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 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-(oxan-4-yl)carbamic acid.

Molecular Properties

Compound Name[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid
PubChem CID139580120
Molecular FormulaC26H26N4O5S
Molecular Weight506.58 g/mol
Exact Mass506.16
IUPAC Name[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid
SMILESCOc1cnc2c(-c3nc4ccc5c(c4s3)CC(CN(C(=O)O)C3CCOCC3)O5)cc(C)cc2n1
InChIInChI=1S/C26H26N4O5S/c1-14-9-18(23-20(10-14)28-22(33-2)12-27-23)25-29-19-3-4-21-17(24(19)36-25)11-16(35-21)13-30(26(31)32)15-5-7-34-8-6-15/h3-4,9-10,12,15-16H,5-8,11,13H2,1-2H3,(H,31,32)
InChIKeyBKVZCXGHBCBUQX-UHFFFAOYSA-N
XLogP4.69
TPSA106.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid with MolForge

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Related Compounds

[(7R)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(2-methylpyrimidin-5-yl)carbamic acid
CID 139580122
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(2-methylpyrimidin-5-yl)carbamic acid
CID 139580082
oxolan-3-yl N-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
CID 139579994
[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
2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
CID 134174328
(1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol
CID 139580079
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134174859
[(7R)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-7-yl]methyl-(1H-pyrrolo[2,3-b]pyridin-5-yl)carbamic acid
CID 155057530
[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-4-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134174788
[4-chloro-2-[7-(hydroxymethyl)-2-methoxyquinoxalin-5-yl]-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(6-methyl-3-pyridinyl)carbamic acid
CID 139579995
[4-(difluoromethyl)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-7-yl]methyl-(2-methyl-4-pyridinyl)carbamic acid
CID 155057517
[(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

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-(oxan-4-yl)carbamic acid?
The IUPAC name of [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid (CID 139580120) is [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid.
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-(oxan-4-yl)carbamic acid?
The canonical SMILES for [2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid is COc1cnc2c(-c3nc4ccc5c(c4s3)CC(CN(C(=O)O)C3CCOCC3)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-(oxan-4-yl)carbamic acid?
The InChIKey is BKVZCXGHBCBUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-14-9-18(23-20(10-14)28-22(33-2)12-27-23)25-29-19-3-4-21-17(24(19)36-25)11-16(35-21)13-30(26(31)32)15-5-7-34-8-6-15/h3-4,9-10,12,15-16H,5-8,11,13H2,1-2H3,(H,31,32).
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-(oxan-4-yl)carbamic acid?
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid has a molecular weight of 506.58 g/mol, XLogP of 4.69, 5 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-(oxan-4-yl)carbamic acid is sourced from PubChem (CID 139580120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).