N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

C30H28N4O2 — CID 46323531

IUPACN-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(-c2cnn(-c3ccc(C(C)C)cc3)c2C)nc2ccccc12
InChIInChI=1S/C30H28N4O2/c1-19(2)21-13-15-22(16-14-21)34-20(3)25(18-31-34)28-17-24(23-9-5-6-10-26(23)32-28)30(35)33-27-11-7-8-12-29(27)36-4/h5-19H,1-4H3,(H,33,35)
InChIKeyCZBNETSTUHYGDI-UHFFFAOYSA-N
MW476.58 g/mol
LogP6.78
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide

N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 46323531) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
PubChem CID46323531
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC NameN-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(-c2cnn(-c3ccc(C(C)C)cc3)c2C)nc2ccccc12
InChIInChI=1S/C30H28N4O2/c1-19(2)21-13-15-22(16-14-21)34-20(3)25(18-31-34)28-17-24(23-9-5-6-10-26(23)32-28)30(35)33-27-11-7-8-12-29(27)36-4/h5-19H,1-4H3,(H,33,35)
InChIKeyCZBNETSTUHYGDI-UHFFFAOYSA-N
XLogP6.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323440
N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323522
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323368
N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323500
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323375
N-cycloheptyl-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323484
N-(3-ethoxypropyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 50780853
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 50779234
N-(furan-2-ylmethyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323493
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 50779202
N-(2,5-dimethoxyphenyl)-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323601

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 46323531) is N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is COc1ccccc1NC(=O)c1cc(-c2cnn(-c3ccc(C(C)C)cc3)c2C)nc2ccccc12.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is CZBNETSTUHYGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-19(2)21-13-15-22(16-14-21)34-20(3)25(18-31-34)28-17-24(23-9-5-6-10-26(23)32-28)30(35)33-27-11-7-8-12-29(27)36-4/h5-19H,1-4H3,(H,33,35).
What are the key properties of N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide?
N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46323531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).