2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide

C30H28N4O — CID 46323357

IUPAC2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
SMILESCCc1ccc(-n2ncc(-c3cc(C(=O)NCc4cccc(C)c4)c4ccccc4n3)c2C)cc1
InChIInChI=1S/C30H28N4O/c1-4-22-12-14-24(15-13-22)34-21(3)27(19-32-34)29-17-26(25-10-5-6-11-28(25)33-29)30(35)31-18-23-9-7-8-20(2)16-23/h5-17,19H,4,18H2,1-3H3,(H,31,35)
InChIKeyLXMVEMQKUYBROV-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.20
Rot. Bonds6

About 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide

2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 46323357) 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-[(3-methylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
PubChem CID46323357
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
SMILESCCc1ccc(-n2ncc(-c3cc(C(=O)NCc4cccc(C)c4)c4ccccc4n3)c2C)cc1
InChIInChI=1S/C30H28N4O/c1-4-22-12-14-24(15-13-22)34-21(3)27(19-32-34)29-17-26(25-10-5-6-11-28(25)33-29)30(35)31-18-23-9-7-8-20(2)16-23/h5-17,19H,4,18H2,1-3H3,(H,31,35)
InChIKeyLXMVEMQKUYBROV-UHFFFAOYSA-N
XLogP6.20
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 ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 46323365
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
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 46323360
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323378
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323368
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(3-phenylpropyl)quinoline-4-carboxamide
CID 46323420
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323375
N-[2-(4-chlorophenyl)ethyl]-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323406
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 50779202
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323415
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-[(3-methylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide (CID 46323357) is 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide is CCc1ccc(-n2ncc(-c3cc(C(=O)NCc4cccc(C)c4)c4ccccc4n3)c2C)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is LXMVEMQKUYBROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c1-4-22-12-14-24(15-13-22)34-21(3)27(19-32-34)29-17-26(25-10-5-6-11-28(25)33-29)30(35)31-18-23-9-7-8-20(2)16-23/h5-17,19H,4,18H2,1-3H3,(H,31,35).
What are the key properties of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide?
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 6.20, 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-[(3-methylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 46323357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).