(2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]

C21H24FNO — CID 135022912

IUPAC(2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]
SMILESCc1ccc2c(c1)[C@]1(C[C@@H](c3ccc(F)cc3)N2)CC(C)(C)CO1
InChIInChI=1S/C21H24FNO/c1-14-4-9-18-17(10-14)21(12-20(2,3)13-24-21)11-19(23-18)15-5-7-16(22)8-6-15/h4-10,19,23H,11-13H2,1-3H3/t19-,21-/m0/s1
InChIKeyMGGNKSQYZHLSAK-FPOVZHCZSA-N
MW325.43 g/mol
LogP5.33
Rot. Bonds1

About (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]

(2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] (PubChem CID 135022912) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane].

Molecular Properties

Compound Name(2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]
PubChem CID135022912
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name(2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]
SMILESCc1ccc2c(c1)[C@]1(C[C@@H](c3ccc(F)cc3)N2)CC(C)(C)CO1
InChIInChI=1S/C21H24FNO/c1-14-4-9-18-17(10-14)21(12-20(2,3)13-24-21)11-19(23-18)15-5-7-16(22)8-6-15/h4-10,19,23H,11-13H2,1-3H3/t19-,21-/m0/s1
InChIKeyMGGNKSQYZHLSAK-FPOVZHCZSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]?
The IUPAC name of (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] (CID 135022912) is (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane].
What is the SMILES notation for (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]?
The canonical SMILES for (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] is Cc1ccc2c(c1)[C@]1(C[C@@H](c3ccc(F)cc3)N2)CC(C)(C)CO1.
What is the InChIKey of (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]?
The InChIKey is MGGNKSQYZHLSAK-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H24FNO/c1-14-4-9-18-17(10-14)21(12-20(2,3)13-24-21)11-19(23-18)15-5-7-16(22)8-6-15/h4-10,19,23H,11-13H2,1-3H3/t19-,21-/m0/s1.
What are the key properties of (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]?
(2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] has a molecular weight of 325.43 g/mol, XLogP of 5.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] is sourced from PubChem (CID 135022912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).