methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate

C18H14N4O3S — CID 133406573

IUPACmethyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(Oc3ccc4nccnc4c3)c2c1C
InChIInChI=1S/C18H14N4O3S/c1-9-14-16(21-10(2)22-17(14)26-15(9)18(23)24-3)25-11-4-5-12-13(8-11)20-7-6-19-12/h4-8H,1-3H3
InChIKeyVJVXPOLDXDIQMH-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.83
Rot. Bonds3

About methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate

methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 133406573) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID133406573
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Namemethyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(Oc3ccc4nccnc4c3)c2c1C
InChIInChI=1S/C18H14N4O3S/c1-9-14-16(21-10(2)22-17(14)26-15(9)18(23)24-3)25-11-4-5-12-13(8-11)20-7-6-19-12/h4-8H,1-3H3
InChIKeyVJVXPOLDXDIQMH-UHFFFAOYSA-N
XLogP3.83
TPSA87.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2,5-dimethyl-4-[4-[(3-methylbenzoyl)amino]phenoxy]thieno[2,3-d]pyrimidine-6-carboxylate
CID 26441937
ethyl 4-(3,4-difluorophenoxy)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26454856
methyl 3-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)oxy]benzoate
CID 9112133
ethyl 2,5-dimethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine-6-carboxylate
CID 133487382
methyl 4-(cycloheptylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 8004574
methyl 4-(cyclooctylamino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 8002219
2,5,6-trimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidine
CID 9213194
2-[(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 122058347
methyl 4-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2425228
methyl 4-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 2425229
methyl 4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 90727553
methyl 2,5-dimethyl-4-[(1-methylpyrazol-4-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 47054742

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate (CID 133406573) is methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(C)nc(Oc3ccc4nccnc4c3)c2c1C.
What is the InChIKey of methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is VJVXPOLDXDIQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-9-14-16(21-10(2)22-17(14)26-15(9)18(23)24-3)25-11-4-5-12-13(8-11)20-7-6-19-12/h4-8H,1-3H3.
What are the key properties of methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate?
methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-4-quinoxalin-6-yloxythieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 133406573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).