N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide

C26H18F2N4O — CID 46323415

IUPACN-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3cccc(F)c3)c3ccccc3n2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C26H18F2N4O/c1-16-23(15-29-32(16)20-11-9-17(27)10-12-20)25-14-22(21-7-2-3-8-24(21)31-25)26(33)30-19-6-4-5-18(28)13-19/h2-15H,1H3,(H,30,33)
InChIKeyXAYCAHKRNORUNS-UHFFFAOYSA-N
MW440.45 g/mol
LogP5.93
Rot. Bonds4

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

N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 46323415) has the molecular formula C26H18F2N4O and a molecular weight of 440.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
PubChem CID46323415
Molecular FormulaC26H18F2N4O
Molecular Weight440.45 g/mol
Exact Mass440.14
IUPAC NameN-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3cccc(F)c3)c3ccccc3n2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C26H18F2N4O/c1-16-23(15-29-32(16)20-11-9-17(27)10-12-20)25-14-22(21-7-2-3-8-24(21)31-25)26(33)30-19-6-4-5-18(28)13-19/h2-15H,1H3,(H,30,33)
InChIKeyXAYCAHKRNORUNS-UHFFFAOYSA-N
XLogP5.93
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.45
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(4-ethoxyphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide
CID 46323419
N-(3,4-difluorophenyl)-2-[5-methyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323522
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-[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
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
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-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 46323357

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide (CID 46323415) is N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)Nc3cccc(F)c3)c3ccccc3n2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide?
The InChIKey is XAYCAHKRNORUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4O/c1-16-23(15-29-32(16)20-11-9-17(27)10-12-20)25-14-22(21-7-2-3-8-24(21)31-25)26(33)30-19-6-4-5-18(28)13-19/h2-15H,1H3,(H,30,33).
What are the key properties of N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide?
N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 46323415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).