propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate

C26H27N5O4S — CID 19512678

IUPACpropan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)c2ccccc2n1
InChIInChI=1S/C26H27N5O4S/c1-12(2)35-26(34)20-13(3)22(23(27)32)36-25(20)29-24(33)17-11-19(21-14(4)30-31(6)15(21)5)28-18-10-8-7-9-16(17)18/h7-12H,1-6H3,(H2,27,32)(H,29,33)
InChIKeyQCJBBKZSGIMGTE-UHFFFAOYSA-N
MW505.60 g/mol
LogP4.54
Rot. Bonds6

About propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate

propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 19512678) has the molecular formula C26H27N5O4S and a molecular weight of 505.60 g/mol. Its IUPAC name is propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
PubChem CID19512678
Molecular FormulaC26H27N5O4S
Molecular Weight505.60 g/mol
Exact Mass505.18
IUPAC Namepropan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)c2ccccc2n1
InChIInChI=1S/C26H27N5O4S/c1-12(2)35-26(34)20-13(3)22(23(27)32)36-25(20)29-24(33)17-11-19(21-14(4)30-31(6)15(21)5)28-18-10-8-7-9-16(17)18/h7-12H,1-6H3,(H2,27,32)(H,29,33)
InChIKeyQCJBBKZSGIMGTE-UHFFFAOYSA-N
XLogP4.54
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-O-ethyl 4-O-propyl 3-methyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 19512675
dipropan-2-yl 5-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 4608754
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
4-methyl-6-(trifluoromethyl)-3-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19512760
propan-2-yl 5-carbamoyl-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 19474812
ethyl 5-carbamoyl-2-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 5212109
propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841124
ethyl 1-methyl-5-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-4-carboxylate
CID 19512858
propan-2-yl 2-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 4075569
N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512629
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512652
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512762

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate (CID 19512678) is propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate is Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)c2ccccc2n1.
What is the InChIKey of propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is QCJBBKZSGIMGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4S/c1-12(2)35-26(34)20-13(3)22(23(27)32)36-25(20)29-24(33)17-11-19(21-14(4)30-31(6)15(21)5)28-18-10-8-7-9-16(17)18/h7-12H,1-6H3,(H2,27,32)(H,29,33).
What are the key properties of propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate?
propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 505.60 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-carbamoyl-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 19512678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).