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

C97H110F4N10O10 — CID 163854340

IUPAC3-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
SMILESC#Cc1c(N2CCC(C)(OC)CC2)c2c(F)c(C)ccc2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)c(C)c(F)c2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)c(C)cc2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)c(F)cc2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)cc(F)c2[nH]c1=O
InChIInChI=1S/C20H23FN2O2.C20H24N2O2.3C19H21FN2O2/c1-6-14-18(23-9-7-20(4,25-5)8-10-23)15-11-12(2)13(3)16(21)17(15)22-19(14)24;1-6-15-18(22-9-7-20(4,24-5)8-10-22)16-11-13(2)14(3)12-17(16)21-19(15)23;1-5-13-17(22-8-6-19(3,24-4)7-9-22)14-10-12(2)15(20)11-16(14)21-18(13)23;1-5-13-17(22-8-6-19(3,24-4)7-9-22)14-10-12(2)11-15(20)16(14)21-18(13)23;1-5-13-17(22-10-8-19(3,24-4)9-11-22)15-14(21-18(13)23)7-6-12(2)16(15)20/h1,11H,7-10H2,2-5H3,(H,22,24);1,11-12H,7-10H2,2-5H3,(H,21,23);2*1,10-11H,6-9H2,2-4H3,(H,21,23);1,6-7H,8-11H2,2-4H3,(H,21,23)
InChIKeyOXAVFWOJDOTEQQ-UHFFFAOYSA-N
MW1652.00 g/mol
LogP15.29
Rot. Bonds10

About 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

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 (PubChem CID 163854340) has the molecular formula C97H110F4N10O10 and a molecular weight of 1652.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID163854340
Molecular FormulaC97H110F4N10O10
Molecular Weight1652.00 g/mol
Exact Mass1650.83
IUPAC Name3-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
SMILESC#Cc1c(N2CCC(C)(OC)CC2)c2c(F)c(C)ccc2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)c(C)c(F)c2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)c(C)cc2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)c(F)cc2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)cc(F)c2[nH]c1=O
InChIInChI=1S/C20H23FN2O2.C20H24N2O2.3C19H21FN2O2/c1-6-14-18(23-9-7-20(4,25-5)8-10-23)15-11-12(2)13(3)16(21)17(15)22-19(14)24;1-6-15-18(22-9-7-20(4,24-5)8-10-22)16-11-13(2)14(3)12-17(16)21-19(15)23;1-5-13-17(22-8-6-19(3,24-4)7-9-22)14-10-12(2)15(20)11-16(14)21-18(13)23;1-5-13-17(22-8-6-19(3,24-4)7-9-22)14-10-12(2)11-15(20)16(14)21-18(13)23;1-5-13-17(22-10-8-19(3,24-4)9-11-22)15-14(21-18(13)23)7-6-12(2)16(15)20/h1,11H,7-10H2,2-5H3,(H,22,24);1,11-12H,7-10H2,2-5H3,(H,21,23);2*1,10-11H,6-9H2,2-4H3,(H,21,23);1,6-7H,8-11H2,2-4H3,(H,21,23)
InChIKeyOXAVFWOJDOTEQQ-UHFFFAOYSA-N
XLogP15.29
TPSA226.65 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.00
LogP ≤ 515.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-1H-quinolin-2-one
CID 163872072
6-ethyl-3-ethynyl-7-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-quinolin-2-one
CID 163958592
5-fluoro-4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165071805
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)-6-[(1S,2R)-2-methylcyclopropyl]-1H-quinolin-2-one
CID 163958594
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164998222
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-quinoline-6-carboxamide
CID 163727840
4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518550
4-(6-azaspiro[2.5]octan-6-yl)-3-ethynyl-6-methoxy-1H-quinolin-2-one
CID 163426037
6-cyclopropyl-3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164959338
4-(4-methoxy-4-methylpiperidin-1-yl)-6-(1-methylpyrazol-4-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 154993592
6-(1-hydroxycyclobutyl)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-quinoline-3-carbonitrile
CID 166985710

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#Cc1c(N2CCC(C)(OC)CC2)c2c(F)c(C)ccc2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)c(C)c(F)c2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)c(C)cc2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)c(F)cc2[nH]c1=O.C#Cc1c(N2CCC(C)(OC)CC2)c2cc(C)cc(F)c2[nH]c1=O.
What is the InChIKey of 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?
The InChIKey is OXAVFWOJDOTEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2.C20H24N2O2.3C19H21FN2O2/c1-6-14-18(23-9-7-20(4,25-5)8-10-23)15-11-12(2)13(3)16(21)17(15)22-19(14)24;1-6-15-18(22-9-7-20(4,24-5)8-10-22)16-11-13(2)14(3)12-17(16)21-19(15)23;1-5-13-17(22-8-6-19(3,24-4)7-9-22)14-10-12(2)15(20)11-16(14)21-18(13)23;1-5-13-17(22-8-6-19(3,24-4)7-9-22)14-10-12(2)11-15(20)16(14)21-18(13)23;1-5-13-17(22-10-8-19(3,24-4)9-11-22)15-14(21-18(13)23)7-6-12(2)16(15)20/h1,11H,7-10H2,2-5H3,(H,22,24);1,11-12H,7-10H2,2-5H3,(H,21,23);2*1,10-11H,6-9H2,2-4H3,(H,21,23);1,6-7H,8-11H2,2-4H3,(H,21,23).
What are the key properties of 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?
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 has a molecular weight of 1652.00 g/mol, XLogP of 15.29, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163854340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).