dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate

C27H24FN3O7S — CID 166065877

IUPACdimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate
SMILESCOC(=O)c1scc(NC(=O)Nc2cc(OCc3cccc4ccc(C)nc34)c(OC)cc2F)c1C(=O)OC
InChIInChI=1S/C27H24FN3O7S/c1-14-8-9-15-6-5-7-16(23(15)29-14)12-38-21-11-18(17(28)10-20(21)35-2)30-27(34)31-19-13-39-24(26(33)37-4)22(19)25(32)36-3/h5-11,13H,12H2,1-4H3,(H2,30,31,34)
InChIKeyPLCPCOPYBVYANB-UHFFFAOYSA-N
MW553.57 g/mol
LogP5.55
Rot. Bonds8

About dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate

dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate (PubChem CID 166065877) has the molecular formula C27H24FN3O7S and a molecular weight of 553.57 g/mol. Its IUPAC name is dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate
PubChem CID166065877
Molecular FormulaC27H24FN3O7S
Molecular Weight553.57 g/mol
Exact Mass553.13
IUPAC Namedimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate
SMILESCOC(=O)c1scc(NC(=O)Nc2cc(OCc3cccc4ccc(C)nc34)c(OC)cc2F)c1C(=O)OC
InChIInChI=1S/C27H24FN3O7S/c1-14-8-9-15-6-5-7-16(23(15)29-14)12-38-21-11-18(17(28)10-20(21)35-2)30-27(34)31-19-13-39-24(26(33)37-4)22(19)25(32)36-3/h5-11,13H,12H2,1-4H3,(H2,30,31,34)
InChIKeyPLCPCOPYBVYANB-UHFFFAOYSA-N
XLogP5.55
TPSA125.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.57
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 4-[[2-fluoro-5-[(7-fluoro-1,3-benzothiazol-4-yl)methoxy]-4-methoxyphenyl]carbamoylamino]thiophene-2,3-dicarboxylate
CID 166065889
dimethyl 4-[[2-fluoro-4-methoxy-5-(quinolin-8-ylmethylamino)phenyl]carbamoylamino]thiophene-2,3-dicarboxylate
CID 175557451
dimethyl 4-[[2-fluoro-4-methoxy-5-[[1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylindol-7-yl]methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate
CID 166065677
dimethyl 4-[[5-(1-benzothiophen-3-ylmethyl)-2-fluoro-4-methoxyphenyl]carbamoylamino]thiophene-2,3-dicarboxylate
CID 175340647
8-[(4-fluoro-2-methoxy-5-nitrophenoxy)methyl]quinoline
CID 166065865
3-[2-fluoro-4-methoxy-5-(quinolin-8-ylmethoxy)phenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
CID 175340563
diethyl 2-bromo-5-[[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]carbamoylamino]thiophene-3,4-dicarboxylate
CID 166066032
2-(2-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17012818
methyl 3-[(2-fluorophenyl)methoxy]thiophene-2-carboxylate
CID 134114884
2-(4-methoxyphenoxy)-N-(2-methylquinolin-8-yl)acetamide
CID 17010763
dimethyl 4-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232537
3-[2-fluoro-4-methoxy-5-(quinoxalin-5-ylmethoxy)phenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
CID 166065915

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate (CID 166065877) is dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate is COC(=O)c1scc(NC(=O)Nc2cc(OCc3cccc4ccc(C)nc34)c(OC)cc2F)c1C(=O)OC.
What is the InChIKey of dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate?
The InChIKey is PLCPCOPYBVYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O7S/c1-14-8-9-15-6-5-7-16(23(15)29-14)12-38-21-11-18(17(28)10-20(21)35-2)30-27(34)31-19-13-39-24(26(33)37-4)22(19)25(32)36-3/h5-11,13H,12H2,1-4H3,(H2,30,31,34).
What are the key properties of dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate?
dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate has a molecular weight of 553.57 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[[2-fluoro-4-methoxy-5-[(2-methylquinolin-8-yl)methoxy]phenyl]carbamoylamino]thiophene-2,3-dicarboxylate is sourced from PubChem (CID 166065877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).