9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one

C18H23N3O2 — CID 127409897

IUPAC9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1CC2CCC(CN1)N2CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H23N3O2/c22-17-10-14-7-8-15(11-19-17)21(14)12-18(23)20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6,14-15H,3,5,7-12H2,(H,19,22)
InChIKeyPSGRRHWNPCEUFX-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.32
Rot. Bonds2

About 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one

9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 127409897) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID127409897
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESO=C1CC2CCC(CN1)N2CC(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H23N3O2/c22-17-10-14-7-8-15(11-19-17)21(14)12-18(23)20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6,14-15H,3,5,7-12H2,(H,19,22)
InChIKeyPSGRRHWNPCEUFX-UHFFFAOYSA-N
XLogP1.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one with MolForge

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Related Compounds

(7R,10S)-22-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-18,19-dimethoxy-5,13,22-triazatricyclo[15.3.1.17,10]docosa-1(21),17,19-triene-4,12-dione
CID 157011993
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
(3aR,8aR)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3,3a,4,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-5-one
CID 110136790
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
4-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrazolidine-3,5-dione
CID 110703723
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 78942384
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17424794
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2R)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 52536635
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781241

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 127409897) is 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one is O=C1CC2CCC(CN1)N2CC(=O)N1CCCc2ccccc21.
What is the InChIKey of 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is PSGRRHWNPCEUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-10-14-7-8-15(11-19-17)21(14)12-18(23)20-9-3-5-13-4-1-2-6-16(13)20/h1-2,4,6,14-15H,3,5,7-12H2,(H,19,22).
What are the key properties of 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one?
9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 313.40 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 127409897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).