3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol

C14H18ClNO2 — CID 15548474

IUPAC3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
SMILESOCCC[C@@H]1Nc2ccc(Cl)cc2[C@H]2OCC[C@@H]12
InChIInChI=1S/C14H18ClNO2/c15-9-3-4-13-11(8-9)14-10(5-7-18-14)12(16-13)2-1-6-17/h3-4,8,10,12,14,16-17H,1-2,5-7H2/t10-,12-,14-/m0/s1
InChIKeyCHIXKFISMKLHHP-JKOKRWQUSA-N
MW267.76 g/mol
LogP2.98
Rot. Bonds3

About 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol

3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol (PubChem CID 15548474) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
PubChem CID15548474
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
SMILESOCCC[C@@H]1Nc2ccc(Cl)cc2[C@H]2OCC[C@@H]12
InChIInChI=1S/C14H18ClNO2/c15-9-3-4-13-11(8-9)14-10(5-7-18-14)12(16-13)2-1-6-17/h3-4,8,10,12,14,16-17H,1-2,5-7H2/t10-,12-,14-/m0/s1
InChIKeyCHIXKFISMKLHHP-JKOKRWQUSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-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
4-[(3aS,4R,9bS)-8-methyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol
CID 101173420
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)-8-ethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol
CID 102513448
methyl (3aS,4R,9bS)-4-(3-hydroxypropyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline-8-carboxylate
CID 11312358
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
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)-7,8-dimethoxy-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]butan-1-ol
CID 101173424
(3aS,4R,9bS)-8-chloro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 10541164
8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 648369

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The IUPAC name of 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol (CID 15548474) is 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The canonical SMILES for 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol is OCCC[C@@H]1Nc2ccc(Cl)cc2[C@H]2OCC[C@@H]12.
What is the InChIKey of 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
The InChIKey is CHIXKFISMKLHHP-JKOKRWQUSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-9-3-4-13-11(8-9)14-10(5-7-18-14)12(16-13)2-1-6-17/h3-4,8,10,12,14,16-17H,1-2,5-7H2/t10-,12-,14-/m0/s1.
What are the key properties of 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol?
3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol has a molecular weight of 267.76 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,4S,9bS)-8-chloro-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinolin-4-yl]propan-1-ol is sourced from PubChem (CID 15548474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).