3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one

C19H24N2O2 — CID 122576111

IUPAC3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(O)ccc2nc1CCCCC[C@H]1CC[C@H]2C[C@@H]12
InChIInChI=1S/C19H24N2O2/c22-14-8-9-16-18(11-14)21-19(23)17(20-16)5-3-1-2-4-12-6-7-13-10-15(12)13/h8-9,11-13,15,22H,1-7,10H2,(H,21,23)/t12-,13-,15-/m0/s1
InChIKeyFMFKHHLBYHOTAH-YDHLFZDLSA-N
MW312.41 g/mol
LogP3.78
Rot. Bonds6

About 3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one

3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one (PubChem CID 122576111) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one
PubChem CID122576111
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one
SMILESO=c1[nH]c2cc(O)ccc2nc1CCCCC[C@H]1CC[C@H]2C[C@@H]12
InChIInChI=1S/C19H24N2O2/c22-14-8-9-16-18(11-14)21-19(23)17(20-16)5-3-1-2-4-12-6-7-13-10-15(12)13/h8-9,11-13,15,22H,1-7,10H2,(H,21,23)/t12-,13-,15-/m0/s1
InChIKeyFMFKHHLBYHOTAH-YDHLFZDLSA-N
XLogP3.78
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one?
The IUPAC name of 3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one (CID 122576111) is 3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one is O=c1[nH]c2cc(O)ccc2nc1CCCCC[C@H]1CC[C@H]2C[C@@H]12.
What is the InChIKey of 3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one?
The InChIKey is FMFKHHLBYHOTAH-YDHLFZDLSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-14-8-9-16-18(11-14)21-19(23)17(20-16)5-3-1-2-4-12-6-7-13-10-15(12)13/h8-9,11-13,15,22H,1-7,10H2,(H,21,23)/t12-,13-,15-/m0/s1.
What are the key properties of 3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one?
3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one has a molecular weight of 312.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R,2S,5S)-2-bicyclo[3.1.0]hexanyl]pentyl]-7-hydroxy-1H-quinoxalin-2-one is sourced from PubChem (CID 122576111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).