5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline

C12H13NO — CID 154699581

IUPAC5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline
SMILESCCCc1ccc2c(n1)C=CC1OC21
InChIInChI=1S/C12H13NO/c1-2-3-8-4-5-9-10(13-8)6-7-11-12(9)14-11/h4-7,11-12H,2-3H2,1H3
InChIKeyDZTXKZYGPUGPOX-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.50
Rot. Bonds2

About 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline

5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline (PubChem CID 154699581) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline.

Molecular Properties

Compound Name5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline
PubChem CID154699581
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline
SMILESCCCc1ccc2c(n1)C=CC1OC21
InChIInChI=1S/C12H13NO/c1-2-3-8-4-5-9-10(13-8)6-7-11-12(9)14-11/h4-7,11-12H,2-3H2,1H3
InChIKeyDZTXKZYGPUGPOX-UHFFFAOYSA-N
XLogP2.50
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-Methoxy-2-phenylethynyl-5,6,7,8-tetrahydro-quinoline
CID 24777941
2-Methyl-6-[2-[3-(tritritiomethoxymethyl)phenyl]ethynyl]pyridine
CID 71458026
(+-)-5,6-Epoxy-5,6-dihydroquinoline
CID 148175
2-(3-Methyloxiran-2-yl)quinoline
CID 10330043
6-Propyl-1a,7b-dihydrooxireno[2,3-h]quinoline
CID 154699503
9-Oxiranyl-acridine
CID 44264635
(4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-pyrido[3,2-d][1,3]oxazepine
CID 154715025
1,2-Epoxy-1-(2-quinolyl)pentane
CID 130253
7,7-dimethyl-2,4-diphenyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine
CID 1903644
Quinoline-7,8-oxide
CID 148187
cis-(+-)-1a,7b-Dihydro-4-methyloxireno(f)quinolinium
CID 154536
4-(Oxiran-2-yl)-2-phenylquinoline
CID 344157

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline?
The IUPAC name of 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline (CID 154699581) is 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline.
What is the SMILES notation for 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline?
The canonical SMILES for 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline is CCCc1ccc2c(n1)C=CC1OC21.
What is the InChIKey of 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline?
The InChIKey is DZTXKZYGPUGPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-3-8-4-5-9-10(13-8)6-7-11-12(9)14-11/h4-7,11-12H,2-3H2,1H3.
What are the key properties of 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline?
5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline has a molecular weight of 187.24 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1a,7b-dihydrooxireno[2,3-f]quinoline is sourced from PubChem (CID 154699581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).