4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one

C18H21FN2O3 — CID 166972582

IUPAC4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one
SMILESCCC1C(COc2ccnc3cc(C)c(OC)cc23)NC(=O)C1F
InChIInChI=1S/C18H21FN2O3/c1-4-11-14(21-18(22)17(11)19)9-24-15-5-6-20-13-7-10(2)16(23-3)8-12(13)15/h5-8,11,14,17H,4,9H2,1-3H3,(H,21,22)
InChIKeyOUZLJYWNJHAUJH-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.79
Rot. Bonds5

About 4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one

4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one (PubChem CID 166972582) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one
PubChem CID166972582
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one
SMILESCCC1C(COc2ccnc3cc(C)c(OC)cc23)NC(=O)C1F
InChIInChI=1S/C18H21FN2O3/c1-4-11-14(21-18(22)17(11)19)9-24-15-5-6-20-13-7-10(2)16(23-3)8-12(13)15/h5-8,11,14,17H,4,9H2,1-3H3,(H,21,22)
InChIKeyOUZLJYWNJHAUJH-UHFFFAOYSA-N
XLogP2.79
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-3-methoxy-1,6-naphthyridine-2-carboxamide
CID 126622174
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414016
1-[[(2S,3R,4R)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
CID 118414556
4-[(6-fluoro-4-oxo-3-azabicyclo[3.1.0]hexan-2-yl)methoxy]-6-methoxyquinoline-7-carboxamide
CID 144937053
8-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxy-1,7-naphthyridine-3-carbonitrile
CID 139386226
1-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-nitroisoquinoline-6-carbonitrile
CID 126639719
6-cyclopropyloxy-4-[[(2S,3S,4S)-4-fluoro-3-methyl-5-oxopyrrolidin-2-yl]methoxy]quinoline-7-carboxamide
CID 134487367
1-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methylamino]-7-methoxyisoquinoline-6-carboxamide
CID 142580637
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide
CID 138727748
1-[[(3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-nitroisoquinoline-6-carboxamide
CID 126639307
8-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-2-methoxyquinoline-3-carboxamide;2-methoxy-8-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]quinoline-3-carboxamide;2-methoxy-8-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-3-carboxamide;3-methoxy-5-[(5-oxopyrrolidin-2-yl)methoxy]quinoline-2-carboxamide
CID 161461355
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-(2-pyrazin-2-ylethynyl)isoquinoline-6-carboxamide
CID 164787256

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one (CID 166972582) is 4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one is CCC1C(COc2ccnc3cc(C)c(OC)cc23)NC(=O)C1F.
What is the InChIKey of 4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one?
The InChIKey is OUZLJYWNJHAUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-4-11-14(21-18(22)17(11)19)9-24-15-5-6-20-13-7-10(2)16(23-3)8-12(13)15/h5-8,11,14,17H,4,9H2,1-3H3,(H,21,22).
What are the key properties of 4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one?
4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one has a molecular weight of 332.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-fluoro-5-[(6-methoxy-7-methylquinolin-4-yl)oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 166972582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).