4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one

C19H20FN3O2 — CID 75592833

IUPAC4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1O)NC(=O)CC2C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-10-6-14-13(7-18(25)22-16(14)8-17(10)24)15-9-21-23-19(15)11-2-4-12(20)5-3-11/h2-6,8,13,15,19,21,23-24H,7,9H2,1H3,(H,22,25)
InChIKeyQWCMFFHCAISNBG-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.73
Rot. Bonds2

About 4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one

4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 75592833) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID75592833
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(cc1O)NC(=O)CC2C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2/c1-10-6-14-13(7-18(25)22-16(14)8-17(10)24)15-9-21-23-19(15)11-2-4-12(20)5-3-11/h2-6,8,13,15,19,21,23-24H,7,9H2,1H3,(H,22,25)
InChIKeyQWCMFFHCAISNBG-UHFFFAOYSA-N
XLogP2.73
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 75595407
9-[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]-1,6,8,9-tetrahydropyrido[3,2-g][1,4]benzoxazine-2,7-dione
CID 75588310
4-[3-(3-fluorophenyl)pyrazolidin-4-yl]-3-methyl-5,7-dihydro-4H-[1,2]thiazolo[5,4-b]pyridin-6-one
CID 137266385
4-(3-ethoxy-4-propan-2-yloxyphenyl)-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 171386680
methyl 6-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyridine-2-carboxylate
CID 95149140
7-hydroxy-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 50958514
N-[[5-[(4R)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 95134899
8-(4-fluoro-2-hydroxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50948929
7-hydroxy-6-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 170507807
3-cyclopentyl-4-(4-fluorophenyl)piperidine-2,6-dione
CID 115926974
3-[(4S)-7-hydroxy-6-methyl-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-6-methoxy-1H-quinolin-2-one
CID 95138160
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one (CID 75592833) is 4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(cc1O)NC(=O)CC2C1CNNC1c1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QWCMFFHCAISNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-10-6-14-13(7-18(25)22-16(14)8-17(10)24)15-9-21-23-19(15)11-2-4-12(20)5-3-11/h2-6,8,13,15,19,21,23-24H,7,9H2,1H3,(H,22,25).
What are the key properties of 4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one?
4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 341.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)pyrazolidin-4-yl]-7-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 75592833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).