(1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

C16H16N4O3 — CID 155497593

IUPAC(1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESO=C1N[C@@H]2COC[C@H]1CN(C(=O)c1ccc3nccnc3c1)C2
InChIInChI=1S/C16H16N4O3/c21-15-11-6-20(7-12(19-15)9-23-8-11)16(22)10-1-2-13-14(5-10)18-4-3-17-13/h1-5,11-12H,6-9H2,(H,19,21)/t11-,12+/m1/s1
InChIKeyGKBVZXXOSDESQW-NEPJUHHUSA-N
MW312.33 g/mol
LogP0.22
Rot. Bonds1

About (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

(1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 155497593) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name(1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID155497593
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name(1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESO=C1N[C@@H]2COC[C@H]1CN(C(=O)c1ccc3nccnc3c1)C2
InChIInChI=1S/C16H16N4O3/c21-15-11-6-20(7-12(19-15)9-23-8-11)16(22)10-1-2-13-14(5-10)18-4-3-17-13/h1-5,11-12H,6-9H2,(H,19,21)/t11-,12+/m1/s1
InChIKeyGKBVZXXOSDESQW-NEPJUHHUSA-N
XLogP0.22
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one with MolForge

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Related Compounds

(1S,5R)-7-(3H-benzimidazole-5-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one;formic acid
CID 155972287
(1S,5R)-7-(3-hydroxybenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155918769
(1S,5R)-7-(4-methylsulfonylbenzoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155505590
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-quinoxalin-6-ylmethanone
CID 155505420
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
(1S,5R)-7-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155914525
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-quinoxalin-6-ylmethanone
CID 155499880
acetic acid;(1S,5R)-7-(imidazo[1,2-a]pyrimidine-2-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155972209
3-[(3S)-1-(quinoxaline-6-carbonyl)piperidin-3-yl]benzoic acid
CID 97209819

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (CID 155497593) is (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is O=C1N[C@@H]2COC[C@H]1CN(C(=O)c1ccc3nccnc3c1)C2.
What is the InChIKey of (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is GKBVZXXOSDESQW-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-15-11-6-20(7-12(19-15)9-23-8-11)16(22)10-1-2-13-14(5-10)18-4-3-17-13/h1-5,11-12H,6-9H2,(H,19,21)/t11-,12+/m1/s1.
What are the key properties of (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
(1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 312.33 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-7-(quinoxaline-6-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 155497593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).