7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C22H19F2N3O2 — CID 139462702

IUPAC7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCc1c(COc2ncccc2F)cncc1-c1c(F)ccc2c1N(C)C(=O)CC2
InChIInChI=1S/C22H19F2N3O2/c1-13-15(12-29-22-18(24)4-3-9-26-22)10-25-11-16(13)20-17(23)7-5-14-6-8-19(28)27(2)21(14)20/h3-5,7,9-11H,6,8,12H2,1-2H3
InChIKeyPTRDFWCPKUQHDQ-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.22
Rot. Bonds4

About 7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 139462702) has the molecular formula C22H19F2N3O2 and a molecular weight of 395.41 g/mol. Its IUPAC name is 7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID139462702
Molecular FormulaC22H19F2N3O2
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCc1c(COc2ncccc2F)cncc1-c1c(F)ccc2c1N(C)C(=O)CC2
InChIInChI=1S/C22H19F2N3O2/c1-13-15(12-29-22-18(24)4-3-9-26-22)10-25-11-16(13)20-17(23)7-5-14-6-8-19(28)27(2)21(14)20/h3-5,7,9-11H,6,8,12H2,1-2H3
InChIKeyPTRDFWCPKUQHDQ-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

Analyze 7-fluoro-8-[5-[(3-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
7-fluoro-6-[[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 90390698
7-fluoro-6-[5-[(6-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 78320870
7-fluoro-1-methyl-8-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462714
1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462720
2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine
CID 126955092
8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 146216604
8-[5-[[3-fluoro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 155023516
7-fluoro-1-methyl-6-[5-[2-(methylamino)ethoxy]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 89439966
2-[(3-fluoro-2-pyridinyl)oxy]acetic acid
CID 66975791
(2,5-dioxopyrrolidin-1-yl) 3-fluoropyridine-2-carboxylate
CID 154824707
[2-[(2-fluorophenyl)methoxy]-3-pyridinyl]methanamine
CID 63933252

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 139462702) is 7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is Cc1c(COc2ncccc2F)cncc1-c1c(F)ccc2c1N(C)C(=O)CC2.
What is the InChIKey of 7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is PTRDFWCPKUQHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2/c1-13-15(12-29-22-18(24)4-3-9-26-22)10-25-11-16(13)20-17(23)7-5-14-6-8-19(28)27(2)21(14)20/h3-5,7,9-11H,6,8,12H2,1-2H3.
What are the key properties of 7-fluoro-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
7-fluoro-8-[5-[(3-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-8-[5-[(3-fluoro-2-pyridinyl)oxymethyl]-4-methyl-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 139462702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).