(3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

C15H14ClNO2 — CID 6949464

IUPAC(3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESClc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccco1)N2
InChIInChI=1S/C15H14ClNO2/c16-9-3-4-12-11(8-9)15-10(5-7-19-15)14(17-12)13-2-1-6-18-13/h1-4,6,8,10,14-15,17H,5,7H2/t10-,14+,15-/m0/s1
InChIKeyYQMGMFNVMXLSPT-VQISRLSMSA-N
MW275.73 g/mol
LogP4.18
Rot. Bonds1

About (3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

(3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 6949464) has the molecular formula C15H14ClNO2 and a molecular weight of 275.73 g/mol. Its IUPAC name is (3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name(3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID6949464
Molecular FormulaC15H14ClNO2
Molecular Weight275.73 g/mol
Exact Mass275.07
IUPAC Name(3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESClc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccco1)N2
InChIInChI=1S/C15H14ClNO2/c16-9-3-4-12-11(8-9)15-10(5-7-19-15)14(17-12)13-2-1-6-18-13/h1-4,6,8,10,14-15,17H,5,7H2/t10-,14+,15-/m0/s1
InChIKeyYQMGMFNVMXLSPT-VQISRLSMSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of (3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 6949464) is (3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for (3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for (3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is Clc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccco1)N2.
What is the InChIKey of (3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is YQMGMFNVMXLSPT-VQISRLSMSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-9-3-4-12-11(8-9)15-10(5-7-19-15)14(17-12)13-2-1-6-18-13/h1-4,6,8,10,14-15,17H,5,7H2/t10-,14+,15-/m0/s1.
What are the key properties of (3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
(3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 275.73 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,9bS)-8-chloro-4-(furan-2-yl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 6949464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).