4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol

C22H21F3N2O — CID 68680581

IUPAC4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
SMILESCC1(C)CC(O)(C(F)(F)F)C(Nc2cccc3ncccc23)c2ccccc21
InChIInChI=1S/C22H21F3N2O/c1-20(2)13-21(28,22(23,24)25)19(14-7-3-4-9-16(14)20)27-18-11-5-10-17-15(18)8-6-12-26-17/h3-12,19,27-28H,13H2,1-2H3
InChIKeyNIKZYQBBZJOLSW-UHFFFAOYSA-N
MW386.42 g/mol
LogP5.36
Rot. Bonds2

About 4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol

4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol (PubChem CID 68680581) has the molecular formula C22H21F3N2O and a molecular weight of 386.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
PubChem CID68680581
Molecular FormulaC22H21F3N2O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
SMILESCC1(C)CC(O)(C(F)(F)F)C(Nc2cccc3ncccc23)c2ccccc21
InChIInChI=1S/C22H21F3N2O/c1-20(2)13-21(28,22(23,24)25)19(14-7-3-4-9-16(14)20)27-18-11-5-10-17-15(18)8-6-12-26-17/h3-12,19,27-28H,13H2,1-2H3
InChIKeyNIKZYQBBZJOLSW-UHFFFAOYSA-N
XLogP5.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.42
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The IUPAC name of 4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol (CID 68680581) is 4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The canonical SMILES for 4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol is CC1(C)CC(O)(C(F)(F)F)C(Nc2cccc3ncccc23)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
The InChIKey is NIKZYQBBZJOLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O/c1-20(2)13-21(28,22(23,24)25)19(14-7-3-4-9-16(14)20)27-18-11-5-10-17-15(18)8-6-12-26-17/h3-12,19,27-28H,13H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol?
4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol has a molecular weight of 386.42 g/mol, XLogP of 5.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol is sourced from PubChem (CID 68680581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).