4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one

C20H23N3O3 — CID 70728751

IUPAC4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one
SMILESCc1cc(=O)n(CC(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3=O)c2ccccc12
InChIInChI=1S/C20H23N3O3/c1-13-9-18(24)23(17-6-4-3-5-16(13)17)12-19(25)22-10-14-7-8-15(11-22)21(2)20(14)26/h3-6,9,14-15H,7-8,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyCGXIPDXXAAALOI-LSDHHAIUSA-N
MW353.42 g/mol
LogP1.39
Rot. Bonds2

About 4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one

4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one (PubChem CID 70728751) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one
PubChem CID70728751
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one
SMILESCc1cc(=O)n(CC(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3=O)c2ccccc12
InChIInChI=1S/C20H23N3O3/c1-13-9-18(24)23(17-6-4-3-5-16(13)17)12-19(25)22-10-14-7-8-15(11-22)21(2)20(14)26/h3-6,9,14-15H,7-8,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyCGXIPDXXAAALOI-LSDHHAIUSA-N
XLogP1.39
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one?
The IUPAC name of 4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one (CID 70728751) is 4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one.
What is the SMILES notation for 4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one?
The canonical SMILES for 4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one is Cc1cc(=O)n(CC(=O)N2C[C@@H]3CC[C@H](C2)N(C)C3=O)c2ccccc12.
What is the InChIKey of 4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one?
The InChIKey is CGXIPDXXAAALOI-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-9-18(24)23(17-6-4-3-5-16(13)17)12-19(25)22-10-14-7-8-15(11-22)21(2)20(14)26/h3-6,9,14-15H,7-8,10-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of 4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one?
4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one has a molecular weight of 353.42 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[(1S,5R)-6-methyl-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]quinolin-2-one is sourced from PubChem (CID 70728751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).