6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one

C20H23FN2O2 — CID 163958592

IUPAC6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one
SMILESC#Cc1c(N2CCC(C)(OC)CC2)c2cc(CC)c(F)cc2[nH]c1=O
InChIInChI=1S/C20H23FN2O2/c1-5-13-11-15-17(12-16(13)21)22-19(24)14(6-2)18(15)23-9-7-20(3,25-4)8-10-23/h2,11-12H,5,7-10H2,1,3-4H3,(H,22,24)
InChIKeyNAHMCVAJUIQLEC-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.22
Rot. Bonds3

About 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one

6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one (PubChem CID 163958592) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one
PubChem CID163958592
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one
SMILESC#Cc1c(N2CCC(C)(OC)CC2)c2cc(CC)c(F)cc2[nH]c1=O
InChIInChI=1S/C20H23FN2O2/c1-5-13-11-15-17(12-16(13)21)22-19(24)14(6-2)18(15)23-9-7-20(3,25-4)8-10-23/h2,11-12H,5,7-10H2,1,3-4H3,(H,22,24)
InChIKeyNAHMCVAJUIQLEC-UHFFFAOYSA-N
XLogP3.22
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one with MolForge

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Related Compounds

3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-1H-quinolin-2-one
CID 163872072
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-6-[(1S,2R)-2-methylcyclopropyl]-1H-quinolin-2-one
CID 163958594
3-ethynyl-8-fluoro-6-(2-hydroxypropan-2-yl)-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one
CID 163828931
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-quinoline-6-carboxamide
CID 163727840
3-ethynyl-8-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-6,7-dimethyl-1H-quinolin-2-one;3-ethynyl-5-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-1H-quinolin-2-one;3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-1H-quinolin-2-one;3-ethynyl-8-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-1H-quinolin-2-one;3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-6,7-dimethyl-1H-quinolin-2-one
CID 163854340
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164998222
4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one
CID 163426037
4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518550
6-cyclopropyl-3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164959338
5-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165071805
6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 166985710
4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 154993592

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one (CID 163958592) is 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one is C#Cc1c(N2CCC(C)(OC)CC2)c2cc(CC)c(F)cc2[nH]c1=O.
What is the InChIKey of 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one?
The InChIKey is NAHMCVAJUIQLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-5-13-11-15-17(12-16(13)21)22-19(24)14(6-2)18(15)23-9-7-20(3,25-4)8-10-23/h2,11-12H,5,7-10H2,1,3-4H3,(H,22,24).
What are the key properties of 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one?
6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one has a molecular weight of 342.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one is sourced from PubChem (CID 163958592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).