2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide

C30H28N4O — CID 92869383

IUPAC2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
SMILESCCc1ccc(-n2ncc(-c3cc(C(=O)N[C@H](C)c4ccccc4)c4ccccc4n3)c2C)cc1
InChIInChI=1S/C30H28N4O/c1-4-22-14-16-24(17-15-22)34-21(3)27(19-31-34)29-18-26(25-12-8-9-13-28(25)33-29)30(35)32-20(2)23-10-6-5-7-11-23/h5-20H,4H2,1-3H3,(H,32,35)/t20-/m1/s1
InChIKeyCSXPPCZRNGQYEV-HXUWFJFHSA-N
MW460.58 g/mol
LogP6.45
Rot. Bonds6

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

2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide (PubChem CID 92869383) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
PubChem CID92869383
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
SMILESCCc1ccc(-n2ncc(-c3cc(C(=O)N[C@H](C)c4ccccc4)c4ccccc4n3)c2C)cc1
InChIInChI=1S/C30H28N4O/c1-4-22-14-16-24(17-15-22)34-21(3)27(19-31-34)29-18-26(25-12-8-9-13-28(25)33-29)30(35)32-20(2)23-10-6-5-7-11-23/h5-20H,4H2,1-3H3,(H,32,35)/t20-/m1/s1
InChIKeyCSXPPCZRNGQYEV-HXUWFJFHSA-N
XLogP6.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323368
6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 46323602
6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 92869410
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 46323357
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 46323360
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 46323365
N-(2-ethylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323489
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide
CID 46323443
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323378
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323375
2-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 19512183

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The IUPAC name of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide (CID 92869383) is 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide is CCc1ccc(-n2ncc(-c3cc(C(=O)N[C@H](C)c4ccccc4)c4ccccc4n3)c2C)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The InChIKey is CSXPPCZRNGQYEV-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H28N4O/c1-4-22-14-16-24(17-15-22)34-21(3)27(19-31-34)29-18-26(25-12-8-9-13-28(25)33-29)30(35)32-20(2)23-10-6-5-7-11-23/h5-20H,4H2,1-3H3,(H,32,35)/t20-/m1/s1.
What are the key properties of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 6.45, 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-[(1R)-1-phenylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 92869383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).