4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol

C25H26F3NO2 — CID 69370929

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol
SMILESCC(O)(Cc1ccnc2ccccc12)CC(C)(c1cccc2c1OCCC2)C(F)(F)F
InChIInChI=1S/C25H26F3NO2/c1-23(30,15-18-12-13-29-21-11-4-3-9-19(18)21)16-24(2,25(26,27)28)20-10-5-7-17-8-6-14-31-22(17)20/h3-5,7,9-13,30H,6,8,14-16H2,1-2H3
InChIKeyDVEMGFYFLABBKU-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.76
Rot. Bonds5

About 4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol

4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol (PubChem CID 69370929) has the molecular formula C25H26F3NO2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol
PubChem CID69370929
Molecular FormulaC25H26F3NO2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol
SMILESCC(O)(Cc1ccnc2ccccc12)CC(C)(c1cccc2c1OCCC2)C(F)(F)F
InChIInChI=1S/C25H26F3NO2/c1-23(30,15-18-12-13-29-21-11-4-3-9-19(18)21)16-24(2,25(26,27)28)20-10-5-7-17-8-6-14-31-22(17)20/h3-5,7,9-13,30H,6,8,14-16H2,1-2H3
InChIKeyDVEMGFYFLABBKU-UHFFFAOYSA-N
XLogP5.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol (CID 69370929) is 4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol is CC(O)(Cc1ccnc2ccccc12)CC(C)(c1cccc2c1OCCC2)C(F)(F)F.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol?
The InChIKey is DVEMGFYFLABBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3NO2/c1-23(30,15-18-12-13-29-21-11-4-3-9-19(18)21)16-24(2,25(26,27)28)20-10-5-7-17-8-6-14-31-22(17)20/h3-5,7,9-13,30H,6,8,14-16H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol?
4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol has a molecular weight of 429.48 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)-5,5,5-trifluoro-2,4-dimethyl-1-quinolin-4-ylpentan-2-ol is sourced from PubChem (CID 69370929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).