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

C22H19F2N3O2 — CID 78320870

IUPAC7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCc1c(COc2cccc(F)n2)cncc1-c1cc2c(cc1F)N(C)C(=O)CC2
InChIInChI=1S/C22H19F2N3O2/c1-13-15(12-29-21-5-3-4-20(24)26-21)10-25-11-17(13)16-8-14-6-7-22(28)27(2)19(14)9-18(16)23/h3-5,8-11H,6-7,12H2,1-2H3
InChIKeyQDMUYGNVQHGOLQ-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.22
Rot. Bonds4

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

7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 78320870) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID78320870
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCc1c(COc2cccc(F)n2)cncc1-c1cc2c(cc1F)N(C)C(=O)CC2
InChIInChI=1S/C22H19F2N3O2/c1-13-15(12-29-21-5-3-4-20(24)26-21)10-25-11-17(13)16-8-14-6-7-22(28)27(2)19(14)9-18(16)23/h3-5,8-11H,6-7,12H2,1-2H3
InChIKeyQDMUYGNVQHGOLQ-UHFFFAOYSA-N
XLogP4.22
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

7-fluoro-1-methyl-8-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462701
1-methyl-6-[5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 78324617
2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid
CID 142719540
7-fluoro-1-methyl-6-[5-[2-(methylamino)ethoxy]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 89439966
N-[1-[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]propanamide
CID 89439881
8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 139462704
N-[2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethyl]-N-methylethanesulfinamide
CID 146229376
CID 163810007
CID 163810007
7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462714
6-[5-[(2-fluoro-6-oxo-1-pyridinyl)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86297487
(S)-N-[[4-chloro-5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]methyl]-2-methylpropane-2-sulfinamide
CID 163639965
N-(2,6-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383268

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 78320870) is 7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is Cc1c(COc2cccc(F)n2)cncc1-c1cc2c(cc1F)N(C)C(=O)CC2.
What is the InChIKey of 7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is QDMUYGNVQHGOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-13-15(12-29-21-5-3-4-20(24)26-21)10-25-11-17(13)16-8-14-6-7-22(28)27(2)19(14)9-18(16)23/h3-5,8-11H,6-7,12H2,1-2H3.
What are the key properties of 7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 395.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 78320870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).