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

C21H24FNO — CID 102516632

IUPAC(4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]
SMILESCc1ccc2c(c1)[C@@]1(CC(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-/m1/s1
InChIKeyMGGNKSQYZHLSAK-VGAJERRHSA-N
MW325.43 g/mol
LogP5.33
Rot. Bonds1

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

(4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] (PubChem CID 102516632) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is (4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane].

Molecular Properties

Compound Name(4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]
PubChem CID102516632
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name(4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]
SMILESCc1ccc2c(c1)[C@@]1(CC(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-/m1/s1
InChIKeyMGGNKSQYZHLSAK-VGAJERRHSA-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 (4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] with MolForge

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Related Compounds

2-[3-[(3-fluorophenyl)sulfonylmethyl]phenyl]-4,4,6-trimethyl-2,3-dihydro-1H-quinoline
CID 161404289
2,4,4,6-tetramethyl-2,3-dihydro-1H-quinoline
CID 117272132
5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91448943
(6R)-6-(4-fluorophenyl)-3,9,9-trimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 26779134
1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
CID 84735923
N-[3-(4-fluorophenyl)cyclobutyl]-2,4-dimethylaniline
CID 43632560
2-(4-fluorophenyl)-2,3-dihydro-1H-indol-5-ol
CID 84692622
(2S)-2-(3-chloro-4-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline-6-carboxylic acid
CID 124559702
3-(4-fluorophenyl)-2,5-dimethyl-1,3-dihydroindazole
CID 142112753
(5R)-4-acetyl-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 756173
S-[4-(6-fluoro-1,2,3,4-tetrahydroquinolin-2-yl)phenyl]thiohydroxylamine
CID 170390923
8-fluoro-3-(4-fluorophenyl)-1,3,4,5-tetrahydro-1-benzazepine-2-thione
CID 21153722

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]?
The IUPAC name of (4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] (CID 102516632) is (4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane].
What is the SMILES notation for (4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]?
The canonical SMILES for (4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] is Cc1ccc2c(c1)[C@@]1(CC(c3ccc(F)cc3)N2)CC(C)(C)CO1.
What is the InChIKey of (4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]?
The InChIKey is MGGNKSQYZHLSAK-VGAJERRHSA-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-/m1/s1.
What are the key properties of (4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane]?
(4S)-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 (4S)-2-(4-fluorophenyl)-4',4',6-trimethylspiro[2,3-dihydro-1H-quinoline-4,2'-oxolane] is sourced from PubChem (CID 102516632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).