dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate

C30H30N2O6S — CID 4608754

IUPACdipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOc1ccc(-c2cc(C(=O)Nc3sc(C(=O)OC(C)C)c(C)c3C(=O)OC(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C30H30N2O6S/c1-16(2)37-29(34)25-18(5)26(30(35)38-17(3)4)39-28(25)32-27(33)22-15-24(19-11-13-20(36-6)14-12-19)31-23-10-8-7-9-21(22)23/h7-17H,1-6H3,(H,32,33)
InChIKeyYKZBVJKRRPDXCA-UHFFFAOYSA-N
MW546.65 g/mol
LogP6.66
Rot. Bonds8

About dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate

dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 4608754) has the molecular formula C30H30N2O6S and a molecular weight of 546.65 g/mol. Its IUPAC name is dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID4608754
Molecular FormulaC30H30N2O6S
Molecular Weight546.65 g/mol
Exact Mass546.18
IUPAC Namedipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCOc1ccc(-c2cc(C(=O)Nc3sc(C(=O)OC(C)C)c(C)c3C(=O)OC(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C30H30N2O6S/c1-16(2)37-29(34)25-18(5)26(30(35)38-17(3)4)39-28(25)32-27(33)22-15-24(19-11-13-20(36-6)14-12-19)31-23-10-8-7-9-21(22)23/h7-17H,1-6H3,(H,32,33)
InChIKeyYKZBVJKRRPDXCA-UHFFFAOYSA-N
XLogP6.66
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.65
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate with MolForge

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Related Compounds

propan-2-yl 2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4075569
methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 4144337
diethyl 5-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 3544060
propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 19512678
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
dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1358488
methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5061113
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 4181648
propan-2-yl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4161098
propan-2-yl 5-methyl-2-[[2-[4-(2-methylpropyl)phenyl]quinoline-4-carbonyl]amino]-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
CID 4601635

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate (CID 4608754) is dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate is COc1ccc(-c2cc(C(=O)Nc3sc(C(=O)OC(C)C)c(C)c3C(=O)OC(C)C)c3ccccc3n2)cc1.
What is the InChIKey of dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is YKZBVJKRRPDXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O6S/c1-16(2)37-29(34)25-18(5)26(30(35)38-17(3)4)39-28(25)32-27(33)22-15-24(19-11-13-20(36-6)14-12-19)31-23-10-8-7-9-21(22)23/h7-17H,1-6H3,(H,32,33).
What are the key properties of dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate?
dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 546.65 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 4608754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).