1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one

C20H16FN3O2 — CID 110618375

IUPAC1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one
SMILESCn1nc(C(=O)N2CCC(=O)c3ccccc32)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2/c1-23-18(13-6-8-14(21)9-7-13)12-16(22-23)20(26)24-11-10-19(25)15-4-2-3-5-17(15)24/h2-9,12H,10-11H2,1H3
InChIKeyZHEUOHWBSZONDB-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.46
Rot. Bonds2

About 1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one

1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one (PubChem CID 110618375) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one
PubChem CID110618375
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one
SMILESCn1nc(C(=O)N2CCC(=O)c3ccccc32)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H16FN3O2/c1-23-18(13-6-8-14(21)9-7-13)12-16(22-23)20(26)24-11-10-19(25)15-4-2-3-5-17(15)24/h2-9,12H,10-11H2,1H3
InChIKeyZHEUOHWBSZONDB-UHFFFAOYSA-N
XLogP3.46
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
CID 110336182
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110299520
1-[9-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-6-methyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 133067782
2,3-dihydroindol-1-yl-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 4775931
5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110299569
2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 110336070
1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 114820791
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone
CID 110616137
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
5-[5-(difluoromethyl)-1-methylpyrazole-3-carbonyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 136563873
(6R)-1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-4-methyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one
CID 92618985
1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 107014965

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one (CID 110618375) is 1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one is Cn1nc(C(=O)N2CCC(=O)c3ccccc32)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one?
The InChIKey is ZHEUOHWBSZONDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-23-18(13-6-8-14(21)9-7-13)12-16(22-23)20(26)24-11-10-19(25)15-4-2-3-5-17(15)24/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one?
1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one has a molecular weight of 349.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110618375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).