6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide

C30H28N4O — CID 92869410

IUPAC6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
SMILESCc1ccc(-n2ncc(-c3cc(C(=O)N[C@H](C)c4ccccc4)c4cc(C)ccc4n3)c2C)cc1
InChIInChI=1S/C30H28N4O/c1-19-10-13-24(14-11-19)34-22(4)27(18-31-34)29-17-26(25-16-20(2)12-15-28(25)33-29)30(35)32-21(3)23-8-6-5-7-9-23/h5-18,21H,1-4H3,(H,32,35)/t21-/m1/s1
InChIKeyKETHOEQLHTYSQT-OAQYLSRUSA-N
MW460.58 g/mol
LogP6.50
Rot. Bonds5

About 6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide

6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide (PubChem CID 92869410) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
PubChem CID92869410
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
SMILESCc1ccc(-n2ncc(-c3cc(C(=O)N[C@H](C)c4ccccc4)c4cc(C)ccc4n3)c2C)cc1
InChIInChI=1S/C30H28N4O/c1-19-10-13-24(14-11-19)34-22(4)27(18-31-34)29-17-26(25-16-20(2)12-15-28(25)33-29)30(35)32-21(3)23-8-6-5-7-9-23/h5-18,21H,1-4H3,(H,32,35)/t21-/m1/s1
InChIKeyKETHOEQLHTYSQT-OAQYLSRUSA-N
XLogP6.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 46323602
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-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 92869383
N-cyclohexyl-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323629
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 46323553
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide
CID 46323443
N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323601
6-methyl-N-(1-phenylethyl)-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749878
N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323500
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323440
N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-6-methylquinoline-4-carboxamide
CID 46323558
N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323484

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The IUPAC name of 6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide (CID 92869410) is 6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The canonical SMILES for 6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide is Cc1ccc(-n2ncc(-c3cc(C(=O)N[C@H](C)c4ccccc4)c4cc(C)ccc4n3)c2C)cc1.
What is the InChIKey of 6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The InChIKey is KETHOEQLHTYSQT-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H28N4O/c1-19-10-13-24(14-11-19)34-22(4)27(18-31-34)29-17-26(25-16-20(2)12-15-28(25)33-29)30(35)32-21(3)23-8-6-5-7-9-23/h5-18,21H,1-4H3,(H,32,35)/t21-/m1/s1.
What are the key properties of 6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 92869410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).