2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide

C25H26N4O3 — CID 118171866

IUPAC2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
SMILESCOc1ccc(CCn2nc(C)c(NC(=O)c3cc(OC)nc4ccccc34)c2C)cc1
InChIInChI=1S/C25H26N4O3/c1-16-24(17(2)29(28-16)14-13-18-9-11-19(31-3)12-10-18)27-25(30)21-15-23(32-4)26-22-8-6-5-7-20(21)22/h5-12,15H,13-14H2,1-4H3,(H,27,30)
InChIKeyHLXLBPJEIGZHLE-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.56
Rot. Bonds7

About 2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide

2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 118171866) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
PubChem CID118171866
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
SMILESCOc1ccc(CCn2nc(C)c(NC(=O)c3cc(OC)nc4ccccc34)c2C)cc1
InChIInChI=1S/C25H26N4O3/c1-16-24(17(2)29(28-16)14-13-18-9-11-19(31-3)12-10-18)27-25(30)21-15-23(32-4)26-22-8-6-5-7-20(21)22/h5-12,15H,13-14H2,1-4H3,(H,27,30)
InChIKeyHLXLBPJEIGZHLE-UHFFFAOYSA-N
XLogP4.56
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide
CID 118171295
4-N-[1-[3-(4-methoxyphenyl)propyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191382
N-[3,5-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]-2-methoxyquinoline-4-carboxamide
CID 118171502
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-2-methoxyquinoline-4-carboxamide
CID 134709541
2-bromo-N-[1-[(4-cyanophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide
CID 118171425
4-N-[1-[(4-acetylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 140770531
4-N-[1-[2-(4-cyanophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191390
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylquinoline-4-carboxamide
CID 1236021
N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(4-methoxyphenyl)propanamide
CID 134712526
4-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191373
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-methoxynaphthalene-2-carboxamide
CID 167835152
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
CID 1225812

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of 2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide (CID 118171866) is 2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide is COc1ccc(CCn2nc(C)c(NC(=O)c3cc(OC)nc4ccccc34)c2C)cc1.
What is the InChIKey of 2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is HLXLBPJEIGZHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-24(17(2)29(28-16)14-13-18-9-11-19(31-3)12-10-18)27-25(30)21-15-23(32-4)26-22-8-6-5-7-20(21)22/h5-12,15H,13-14H2,1-4H3,(H,27,30).
What are the key properties of 2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide?
2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[2-(4-methoxyphenyl)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 118171866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).