7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one

C20H22N4O2 — CID 139384353

IUPAC7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OC/C=C/CN3CCc4nccnc4C3)cc2N1
InChIInChI=1S/C20H22N4O2/c25-20-6-4-15-3-5-16(13-18(15)23-20)26-12-2-1-10-24-11-7-17-19(14-24)22-9-8-21-17/h1-3,5,8-9,13H,4,6-7,10-12,14H2,(H,23,25)/b2-1+
InChIKeyBPPPLCPATDPVJG-OWOJBTEDSA-N
MW350.42 g/mol
LogP2.35
Rot. Bonds5

About 7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one

7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 139384353) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID139384353
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OC/C=C/CN3CCc4nccnc4C3)cc2N1
InChIInChI=1S/C20H22N4O2/c25-20-6-4-15-3-5-16(13-18(15)23-20)26-12-2-1-10-24-11-7-17-19(14-24)22-9-8-21-17/h1-3,5,8-9,13H,4,6-7,10-12,14H2,(H,23,25)/b2-1+
InChIKeyBPPPLCPATDPVJG-OWOJBTEDSA-N
XLogP2.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
CID 66885925
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46829776
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489
methyl (Z)-2-ethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]but-2-enoate
CID 114939880
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106931226
7-[2-(2-oxo-1-pyridinyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940102
7-[3-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 25151399
7-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10715828

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one (CID 139384353) is 7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OC/C=C/CN3CCc4nccnc4C3)cc2N1.
What is the InChIKey of 7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BPPPLCPATDPVJG-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20-6-4-15-3-5-16(13-18(15)23-20)26-12-2-1-10-24-11-7-17-19(14-24)22-9-8-21-17/h1-3,5,8-9,13H,4,6-7,10-12,14H2,(H,23,25)/b2-1+.
What are the key properties of 7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)but-2-enoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 139384353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).