2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide

C31H30N4O — CID 46323368

IUPAC2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCCc1ccc(-n2ncc(-c3cc(C(=O)Nc4ccc(C(C)C)cc4)c4ccccc4n3)c2C)cc1
InChIInChI=1S/C31H30N4O/c1-5-22-10-16-25(17-11-22)35-21(4)28(19-32-35)30-18-27(26-8-6-7-9-29(26)34-30)31(36)33-24-14-12-23(13-15-24)20(2)3/h6-20H,5H2,1-4H3,(H,33,36)
InChIKeyMWMDYCZUGFEPEM-UHFFFAOYSA-N
MW474.61 g/mol
LogP7.33
Rot. Bonds6

About 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide

2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide (PubChem CID 46323368) has the molecular formula C31H30N4O and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
PubChem CID46323368
Molecular FormulaC31H30N4O
Molecular Weight474.61 g/mol
Exact Mass474.24
IUPAC Name2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCCc1ccc(-n2ncc(-c3cc(C(=O)Nc4ccc(C(C)C)cc4)c4ccccc4n3)c2C)cc1
InChIInChI=1S/C31H30N4O/c1-5-22-10-16-25(17-11-22)35-21(4)28(19-32-35)30-18-27(26-8-6-7-9-29(26)34-30)31(36)33-24-14-12-23(13-15-24)20(2)3/h6-20H,5H2,1-4H3,(H,33,36)
InChIKeyMWMDYCZUGFEPEM-UHFFFAOYSA-N
XLogP7.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323440
N-(2-ethylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323489
N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323522
N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323500
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 92869383
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 46323352
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 46323360
N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323531
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 46323357
N-(3-ethoxypropyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 50780853
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323375
N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323493

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide (CID 46323368) is 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide is CCc1ccc(-n2ncc(-c3cc(C(=O)Nc4ccc(C(C)C)cc4)c4ccccc4n3)c2C)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The InChIKey is MWMDYCZUGFEPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O/c1-5-22-10-16-25(17-11-22)35-21(4)28(19-32-35)30-18-27(26-8-6-7-9-29(26)34-30)31(36)33-24-14-12-23(13-15-24)20(2)3/h6-20H,5H2,1-4H3,(H,33,36).
What are the key properties of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 7.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 46323368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).