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

C30H28N4O2 — CID 46323365

IUPAC2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCCc1ccc(-n2ncc(-c3cc(C(=O)NCc4ccccc4OC)c4ccccc4n3)c2C)cc1
InChIInChI=1S/C30H28N4O2/c1-4-21-13-15-23(16-14-21)34-20(2)26(19-32-34)28-17-25(24-10-6-7-11-27(24)33-28)30(35)31-18-22-9-5-8-12-29(22)36-3/h5-17,19H,4,18H2,1-3H3,(H,31,35)
InChIKeyCHBOGNYDEFZFTC-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.90
Rot. Bonds7

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

2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide (PubChem CID 46323365) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
PubChem CID46323365
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
SMILESCCc1ccc(-n2ncc(-c3cc(C(=O)NCc4ccccc4OC)c4ccccc4n3)c2C)cc1
InChIInChI=1S/C30H28N4O2/c1-4-21-13-15-23(16-14-21)34-20(2)26(19-32-34)28-17-25(24-10-6-7-11-27(24)33-28)30(35)31-18-22-9-5-8-12-29(22)36-3/h5-17,19H,4,18H2,1-3H3,(H,31,35)
InChIKeyCHBOGNYDEFZFTC-UHFFFAOYSA-N
XLogP5.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 50779202
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 46323357
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323375
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
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323368
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323378
N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-6-methylquinoline-4-carboxamide
CID 46323558
2-(2-chlorophenyl)-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 994293
N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323531
N-[(2-methoxyphenyl)methyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1261953

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide (CID 46323365) is 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide is CCc1ccc(-n2ncc(-c3cc(C(=O)NCc4ccccc4OC)c4ccccc4n3)c2C)cc1.
What is the InChIKey of 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is CHBOGNYDEFZFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-4-21-13-15-23(16-14-21)34-20(2)26(19-32-34)28-17-25(24-10-6-7-11-27(24)33-28)30(35)31-18-22-9-5-8-12-29(22)36-3/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-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide?
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 46323365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).