4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol

C16H23NO2 — CID 101173420

IUPAC4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol
SMILESCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](CCCCO)N2
InChIInChI=1S/C16H23NO2/c1-11-5-6-15-13(10-11)16-12(7-9-19-16)14(17-15)4-2-3-8-18/h5-6,10,12,14,16-18H,2-4,7-9H2,1H3/t12-,14+,16-/m0/s1
InChIKeyLZXVJTLIAMXNCC-BJJXKVORSA-N
MW261.36 g/mol
LogP3.03
Rot. Bonds4

About 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol

4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol (PubChem CID 101173420) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol
PubChem CID101173420
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol
SMILESCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](CCCCO)N2
InChIInChI=1S/C16H23NO2/c1-11-5-6-15-13(10-11)16-12(7-9-19-16)14(17-15)4-2-3-8-18/h5-6,10,12,14,16-18H,2-4,7-9H2,1H3/t12-,14+,16-/m0/s1
InChIKeyLZXVJTLIAMXNCC-BJJXKVORSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol with MolForge

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Related Compounds

3-[(3aS,4R,9bS)-8-fluoro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 10999500
3-[(3aS,4R,9bS)-8-bromo-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 11335929
3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 15548474
4-[(3aS,4R,9bS)-7,8-dimethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol
CID 101173424
3-[(3aR,4R,9bR)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 102513448
4-[(4aR,5R,10bR)-9-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]butan-1-ol
CID 102464253
4-[(4aR,5S,10bS)-9-fluoro-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]butan-1-ol
CID 95735461
methyl (3aS,4R,9bS)-4-(3-hydroxypropyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-carboxylate
CID 11312358
3-[(3aS,9bS)-8-nitro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 135070047
3-[(3aR,4R,9bR)-6-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 102513449
4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]phenol
CID 135070669
4-(8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl)benzoic acid
CID 43912308

Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol?
The IUPAC name of 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol (CID 101173420) is 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol.
What is the SMILES notation for 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol?
The canonical SMILES for 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol is Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](CCCCO)N2.
What is the InChIKey of 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol?
The InChIKey is LZXVJTLIAMXNCC-BJJXKVORSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-5-6-15-13(10-11)16-12(7-9-19-16)14(17-15)4-2-3-8-18/h5-6,10,12,14,16-18H,2-4,7-9H2,1H3/t12-,14+,16-/m0/s1.
What are the key properties of 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol?
4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol is sourced from PubChem (CID 101173420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).