N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide

C28H23FN4O2 — CID 46323419

IUPACN-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3cnn(-c4ccc(F)cc4)c3C)nc3ccccc23)cc1
InChIInChI=1S/C28H23FN4O2/c1-3-35-22-14-10-20(11-15-22)31-28(34)24-16-27(32-26-7-5-4-6-23(24)26)25-17-30-33(18(25)2)21-12-8-19(29)9-13-21/h4-17H,3H2,1-2H3,(H,31,34)
InChIKeyCFNAZHYQVKSKCH-UHFFFAOYSA-N
MW466.52 g/mol
LogP6.19
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide

N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 46323419) has the molecular formula C28H23FN4O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
PubChem CID46323419
Molecular FormulaC28H23FN4O2
Molecular Weight466.52 g/mol
Exact Mass466.18
IUPAC NameN-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(-c3cnn(-c4ccc(F)cc4)c3C)nc3ccccc23)cc1
InChIInChI=1S/C28H23FN4O2/c1-3-35-22-14-10-20(11-15-22)31-28(34)24-16-27(32-26-7-5-4-6-23(24)26)25-17-30-33(18(25)2)21-12-8-19(29)9-13-21/h4-17H,3H2,1-2H3,(H,31,34)
InChIKeyCFNAZHYQVKSKCH-UHFFFAOYSA-N
XLogP6.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.52
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 50779234
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 46323440
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323415
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-[(2-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 50779202
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(3-phenylpropyl)quinoline-4-carboxamide
CID 46323420
2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(2-phenylpropyl)quinoline-4-carboxamide
CID 46323443
N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323522
N-[2-(4-chlorophenyl)ethyl]-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323406
2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 46323360
N-[(4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-6-methylquinoline-4-carboxamide
CID 46323558
N-(3-chloro-4-methylphenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323500

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide (CID 46323419) is N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide is CCOc1ccc(NC(=O)c2cc(-c3cnn(-c4ccc(F)cc4)c3C)nc3ccccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is CFNAZHYQVKSKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O2/c1-3-35-22-14-10-20(11-15-22)31-28(34)24-16-27(32-26-7-5-4-6-23(24)26)25-17-30-33(18(25)2)21-12-8-19(29)9-13-21/h4-17H,3H2,1-2H3,(H,31,34).
What are the key properties of N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide?
N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46323419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).