[1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate

C23H30N2O3 — CID 12685702

IUPAC[1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate
SMILESNC(=O)OC1CCN(CCCOc2ccc3ccccc3c2)C2CCCCC12
InChIInChI=1S/C23H30N2O3/c24-23(26)28-22-12-14-25(21-9-4-3-8-20(21)22)13-5-15-27-19-11-10-17-6-1-2-7-18(17)16-19/h1-2,6-7,10-11,16,20-22H,3-5,8-9,12-15H2,(H2,24,26)
InChIKeyKSSQXZAEWVEXAR-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.34
Rot. Bonds6

About [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate

[1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate (PubChem CID 12685702) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate.

Molecular Properties

Compound Name[1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate
PubChem CID12685702
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name[1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate
SMILESNC(=O)OC1CCN(CCCOc2ccc3ccccc3c2)C2CCCCC12
InChIInChI=1S/C23H30N2O3/c24-23(26)28-22-12-14-25(21-9-4-3-8-20(21)22)13-5-15-27-19-11-10-17-6-1-2-7-18(17)16-19/h1-2,6-7,10-11,16,20-22H,3-5,8-9,12-15H2,(H2,24,26)
InChIKeyKSSQXZAEWVEXAR-UHFFFAOYSA-N
XLogP4.34
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate with MolForge

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Related Compounds

[1-[3-(4-fluorophenoxy)propyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate
CID 12685674
4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide
CID 67234428
4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
CID 2888640
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
CID 111442695
4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzoic acid
CID 67234518
4-[3-(2-azabicyclo[3.1.0]hexan-2-yl)propoxy]benzoyl chloride
CID 89123797
1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
CID 122562043
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide
CID 53230350
naphthalen-2-yl (1R,6R)-bicyclo[4.1.0]heptane-7-carboxylate
CID 796702
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290

Frequently Asked Questions

What is the IUPAC name of [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate?
The IUPAC name of [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate (CID 12685702) is [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate.
What is the SMILES notation for [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate?
The canonical SMILES for [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate is NC(=O)OC1CCN(CCCOc2ccc3ccccc3c2)C2CCCCC12.
What is the InChIKey of [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate?
The InChIKey is KSSQXZAEWVEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c24-23(26)28-22-12-14-25(21-9-4-3-8-20(21)22)13-5-15-27-19-11-10-17-6-1-2-7-18(17)16-19/h1-2,6-7,10-11,16,20-22H,3-5,8-9,12-15H2,(H2,24,26).
What are the key properties of [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate?
[1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate has a molecular weight of 382.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-naphthalen-2-yloxypropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl] carbamate is sourced from PubChem (CID 12685702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).