2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide

C30H26ClN5O2 — CID 17375453

IUPAC2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C30H26ClN5O2/c1-2-36-19-27(28(35-36)30(38)32-17-16-20-8-4-3-5-9-20)34-29(37)24-18-26(21-12-14-22(31)15-13-21)33-25-11-7-6-10-23(24)25/h3-15,18-19H,2,16-17H2,1H3,(H,32,38)(H,34,37)
InChIKeyAERKMYWRQOMYCL-UHFFFAOYSA-N
MW524.02 g/mol
LogP6.00
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide

2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 17375453) has the molecular formula C30H26ClN5O2 and a molecular weight of 524.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID17375453
Molecular FormulaC30H26ClN5O2
Molecular Weight524.02 g/mol
Exact Mass523.18
IUPAC Name2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C30H26ClN5O2/c1-2-36-19-27(28(35-36)30(38)32-17-16-20-8-4-3-5-9-20)34-29(37)24-18-26(21-12-14-22(31)15-13-21)33-25-11-7-6-10-23(24)25/h3-15,18-19H,2,16-17H2,1H3,(H,32,38)(H,34,37)
InChIKeyAERKMYWRQOMYCL-UHFFFAOYSA-N
XLogP6.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.02
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518535
2-(1,3-dimethylpyrazol-4-yl)-N-[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 19511939
N-[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 17375467
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
methyl 1-ethyl-4-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]pyrazole-3-carboxylate
CID 19512247
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512854
2-(4-chlorophenyl)-N-(2-methylnaphthalen-1-yl)quinoline-4-carboxamide
CID 3165622
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
4-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398520

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 17375453) is 2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide is CCn1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is AERKMYWRQOMYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN5O2/c1-2-36-19-27(28(35-36)30(38)32-17-16-20-8-4-3-5-9-20)34-29(37)24-18-26(21-12-14-22(31)15-13-21)33-25-11-7-6-10-23(24)25/h3-15,18-19H,2,16-17H2,1H3,(H,32,38)(H,34,37).
What are the key properties of 2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 524.02 g/mol, XLogP of 6.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 17375453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).