2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one

C20H22N2O2 — CID 165092403

IUPAC2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one
SMILESC#CC1=C(N2CCC(C)(OC)CC2)c2nc(C=C)ccc2CC1=O
InChIInChI=1S/C20H22N2O2/c1-5-15-8-7-14-13-17(23)16(6-2)19(18(14)21-15)22-11-9-20(3,24-4)10-12-22/h2,5,7-8H,1,9-13H2,3-4H3
InChIKeyHQUFXJIAKIUCPF-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.69
Rot. Bonds3

About 2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one

2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one (PubChem CID 165092403) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one.

Molecular Properties

Compound Name2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one
PubChem CID165092403
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one
SMILESC#CC1=C(N2CCC(C)(OC)CC2)c2nc(C=C)ccc2CC1=O
InChIInChI=1S/C20H22N2O2/c1-5-15-8-7-14-13-17(23)16(6-2)19(18(14)21-15)22-11-9-20(3,24-4)10-12-22/h2,5,7-8H,1,9-13H2,3-4H3
InChIKeyHQUFXJIAKIUCPF-UHFFFAOYSA-N
XLogP2.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-2-[3-(1-methylpiperidin-4-yl)propanoyl]-5H-quinolin-6-one
CID 165027304
8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one
CID 165029171
8-(7-azaspiro[3.5]nonan-7-yl)-2-chloro-7-ethynyl-5H-quinolin-6-one
CID 165041622
3-(1,1-dideuterioethyl)-6-ethynyl-5-(4-methoxy-4-methylpiperidin-1-yl)-8H-isoquinolin-7-one
CID 165083479
3-ethyl-6-ethynyl-2-hydroxy-5-(4-methoxy-4-methylpiperidin-1-yl)-8H-isoquinolin-2-ium-7-one
CID 165036399
7-ethyl-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile
CID 163949889
5-(4-methoxy-4-methylpiperidin-1-yl)-7-oxo-3-propan-2-yl-8H-isoquinoline-6-carbonitrile
CID 165081528
7-(2-methoxyethoxy)-1-(4-methoxy-4-methylpiperidin-1-yl)-3-oxo-4H-naphthalene-2-carbonitrile
CID 163616428
2-[cyclopropyl(hydroxy)methyl]-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one;7-ethynyl-2-(1-hydroxyethyl)-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one;7-ethynyl-2-(2-hydroxypropan-2-yl)-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one;7-ethynyl-8-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-5H-quinolin-6-one;7-ethynyl-8-[(3S)-3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]-5H-quinolin-6-one
CID 165102717
3-ethynyl-4-(4-methoxy-4-methylpiperidin-1-yl)-1H-1,5-naphthyridin-2-one
CID 164998222
5-(6-azaspiro[2.5]octan-6-yl)-3-(dimethylamino)-6-ethynyl-8H-isoquinolin-7-one
CID 158976114
3-ethynyl-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1H-naphthalen-2-one
CID 163971764

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one?
The IUPAC name of 2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one (CID 165092403) is 2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one.
What is the SMILES notation for 2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one?
The canonical SMILES for 2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one is C#CC1=C(N2CCC(C)(OC)CC2)c2nc(C=C)ccc2CC1=O.
What is the InChIKey of 2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one?
The InChIKey is HQUFXJIAKIUCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-5-15-8-7-14-13-17(23)16(6-2)19(18(14)21-15)22-11-9-20(3,24-4)10-12-22/h2,5,7-8H,1,9-13H2,3-4H3.
What are the key properties of 2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one?
2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one has a molecular weight of 322.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one is sourced from PubChem (CID 165092403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).