methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate

C26H24N2O4S — CID 4144337

IUPACmethyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12
InChIInChI=1S/C26H24N2O4S/c1-15(2)32-18-11-9-17(10-12-18)23-14-20(19-7-5-6-8-22(19)27-23)24(29)28-25-21(26(30)31-4)13-16(3)33-25/h5-15H,1-4H3,(H,28,29)
InChIKeyLJWWJOWNSXYPGY-UHFFFAOYSA-N
MW460.56 g/mol
LogP6.10
Rot. Bonds6

About methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate

methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 4144337) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
PubChem CID4144337
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Namemethyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12
InChIInChI=1S/C26H24N2O4S/c1-15(2)32-18-11-9-17(10-12-18)23-14-20(19-7-5-6-8-22(19)27-23)24(29)28-25-21(26(30)31-4)13-16(3)33-25/h5-15H,1-4H3,(H,28,29)
InChIKeyLJWWJOWNSXYPGY-UHFFFAOYSA-N
XLogP6.10
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 17374077
dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 4608754
methyl 2-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19511808
methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3318872
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5061113
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4863761
methyl 2-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19508801
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1291458

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate (CID 4144337) is methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate is COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12.
What is the InChIKey of methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is LJWWJOWNSXYPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-15(2)32-18-11-9-17(10-12-18)23-14-20(19-7-5-6-8-22(19)27-23)24(29)28-25-21(26(30)31-4)13-16(3)33-25/h5-15H,1-4H3,(H,28,29).
What are the key properties of methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate?
methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 460.56 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 4144337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).