4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide

C23H19FN4O4 — CID 157246873

IUPAC4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cn[nH]c4)cc3F)c2cc1C(N)=O
InChIInChI=1S/C23H19FN4O4/c1-31-22-10-19-16(9-17(22)23(25)30)20(4-5-26-19)32-21-3-2-13(8-18(21)24)6-15(29)7-14-11-27-28-12-14/h2-5,8-12H,6-7H2,1H3,(H2,25,30)(H,27,28)
InChIKeyAVWOZCGOUWCFMO-UHFFFAOYSA-N
MW434.43 g/mol
LogP3.35
Rot. Bonds8

About 4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide

4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 157246873) has the molecular formula C23H19FN4O4 and a molecular weight of 434.43 g/mol. Its IUPAC name is 4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID157246873
Molecular FormulaC23H19FN4O4
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC Name4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)Cc4cn[nH]c4)cc3F)c2cc1C(N)=O
InChIInChI=1S/C23H19FN4O4/c1-31-22-10-19-16(9-17(22)23(25)30)20(4-5-26-19)32-21-3-2-13(8-18(21)24)6-15(29)7-14-11-27-28-12-14/h2-5,8-12H,6-7H2,1H3,(H2,25,30)(H,27,28)
InChIKeyAVWOZCGOUWCFMO-UHFFFAOYSA-N
XLogP3.35
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[[5-(Aminocarbonyl)-2-naphthalenyl]oxy]-7-methoxy-6-quinolinecarboxamide
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1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-5-propan-2-yloxyspiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
CID 46830214
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methylpyrazol-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884798
5-methoxy-7-methyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
CID 46884924
1'-(7-methyl-1H-indazole-5-carbonyl)-5-(2-methylpropoxy)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
CID 46884925
5-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
CID 46884955
5-ethoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[3,2-c]pyridine-2,4'-piperidine]-4-one
CID 46884956
6-(6-Acetyl-7-methoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
CID 52940598
7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide
CID 155533894
4-ethoxy-2-(4-fluoro-2-methoxyphenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide
CID 122431380

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide (CID 157246873) is 4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(CC(=O)Cc4cn[nH]c4)cc3F)c2cc1C(N)=O.
What is the InChIKey of 4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is AVWOZCGOUWCFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4/c1-31-22-10-19-16(9-17(22)23(25)30)20(4-5-26-19)32-21-3-2-13(8-18(21)24)6-15(29)7-14-11-27-28-12-14/h2-5,8-12H,6-7H2,1H3,(H2,25,30)(H,27,28).
What are the key properties of 4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide?
4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 434.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[2-oxo-3-(1H-pyrazol-4-yl)propyl]phenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 157246873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).