7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one

C22H19F2N3O2 — CID 90390698

IUPAC7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1c(COc2ncccc2F)cncc1Cc1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C22H19F2N3O2/c1-13-16(8-15-7-14-4-5-21(28)27-20(14)9-19(15)24)10-25-11-17(13)12-29-22-18(23)3-2-6-26-22/h2-3,6-7,9-11H,4-5,8,12H2,1H3,(H,27,28)
InChIKeyYFWLQODJQKXTMB-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.12
Rot. Bonds5

About 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 90390698) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID90390698
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1c(COc2ncccc2F)cncc1Cc1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C22H19F2N3O2/c1-13-16(8-15-7-14-4-5-21(28)27-20(14)9-19(15)24)10-25-11-17(13)12-29-22-18(23)3-2-6-26-22/h2-3,6-7,9-11H,4-5,8,12H2,1H3,(H,27,28)
InChIKeyYFWLQODJQKXTMB-UHFFFAOYSA-N
XLogP4.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-(5-Methoxypyridin-3-yl)-3,4-dihydroquinolin-2(1H)-one
CID 25180298
7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
CID 58255415
7-methoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
CID 58255581
US9663529, Example I-62
CID 121363957
2-[[5-(1-Methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methoxy]pyridine-4-carbonitrile
CID 78320233
6-[5-[(6-Fluoro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 78320234
6-[5-[(5-Chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 78320236
6-[5-[(6-Chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-7-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 78320542
7-Fluoro-1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 78320544
7-Fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 78320545
7-Fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 78320870
6-[5-(6-Chloro-pyridin-2-yloxymethyl)-pyridin-3-yl]-1-methyl-3,4-dihydro-1H-quinolin-2-one
CID 78324615

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 90390698) is 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one is Cc1c(COc2ncccc2F)cncc1Cc1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YFWLQODJQKXTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-13-16(8-15-7-14-4-5-21(28)27-20(14)9-19(15)24)10-25-11-17(13)12-29-22-18(23)3-2-6-26-22/h2-3,6-7,9-11H,4-5,8,12H2,1H3,(H,27,28).
What are the key properties of 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 395.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 90390698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).