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

C23H22FN3O2 — CID 78320545

IUPAC7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1cccc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2C)n1
InChIInChI=1S/C23H22FN3O2/c1-14-5-4-6-22(26-14)29-13-17-11-25-12-19(15(17)2)18-9-16-7-8-23(28)27(3)21(16)10-20(18)24/h4-6,9-12H,7-8,13H2,1-3H3
InChIKeyGMHCTAHKTPVCCL-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.39
Rot. Bonds4

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

7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 78320545) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID78320545
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1cccc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2C)n1
InChIInChI=1S/C23H22FN3O2/c1-14-5-4-6-22(26-14)29-13-17-11-25-12-19(15(17)2)18-9-16-7-8-23(28)27(3)21(16)10-20(18)24/h4-6,9-12H,7-8,13H2,1-3H3
InChIKeyGMHCTAHKTPVCCL-UHFFFAOYSA-N
XLogP4.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquinolin-2(1H)-one
CID 25180503
7-(5-Methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 44479392
6-[5-(3-Methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 44480129
(4-fluorophenyl)-[3-(phenoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 57412058
7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
CID 58255415
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone
CID 25125859
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrazin-2-ylphenyl)methanone
CID 25128141
1-Methyl-6-[5-[(2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 78319928
1-Methyl-6-[5-[[2-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]pyridin-3-yl]-3,4-dihydroquinolin-2-one
CID 78319929
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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 78320545) is 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is Cc1cccc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2C)n1.
What is the InChIKey of 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is GMHCTAHKTPVCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-14-5-4-6-22(26-14)29-13-17-11-25-12-19(15(17)2)18-9-16-7-8-23(28)27(3)21(16)10-20(18)24/h4-6,9-12H,7-8,13H2,1-3H3.
What are the key properties of 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 391.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-6-[4-methyl-5-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 78320545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).