4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol

C23H23F3N2O2 — CID 68681232

IUPAC4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol
SMILESCc1ccc2c(NC3c4cc(O)ccc4C(C)(C)CC3(O)C(F)(F)F)cccc2n1
InChIInChI=1S/C23H23F3N2O2/c1-13-7-9-15-18(27-13)5-4-6-19(15)28-20-16-11-14(29)8-10-17(16)21(2,3)12-22(20,30)23(24,25)26/h4-11,20,28-30H,12H2,1-3H3
InChIKeyDVUTYJQBMNIMFA-UHFFFAOYSA-N
MW416.44 g/mol
LogP5.38
Rot. Bonds2

About 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol

4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol (PubChem CID 68681232) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol
PubChem CID68681232
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC Name4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol
SMILESCc1ccc2c(NC3c4cc(O)ccc4C(C)(C)CC3(O)C(F)(F)F)cccc2n1
InChIInChI=1S/C23H23F3N2O2/c1-13-7-9-15-18(27-13)5-4-6-19(15)28-20-16-11-14(29)8-10-17(16)21(2,3)12-22(20,30)23(24,25)26/h4-11,20,28-30H,12H2,1-3H3
InChIKeyDVUTYJQBMNIMFA-UHFFFAOYSA-N
XLogP5.38
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol with MolForge

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Related Compounds

1-[(8-fluoro-2-methylquinazolin-5-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol
CID 68680672
4,4-dimethyl-1-(quinolin-5-ylamino)-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 68680581
4,4-dimethyl-1-[(2-methyl-1,3-benzothiazol-7-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 11304312
3-methoxy-8,8-dimethyl-5-[[(2-methylquinolin-5-yl)amino]methyl]-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
CID 11956119
(6S,8R)-3-chloro-2-fluoro-6,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalen-1-ol
CID 71168550
5,8-difluoro-4,4-dimethyl-1-[(2-methylquinazolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalen-2-ol
CID 68680394
8-[(2,6-dimethylquinolin-5-yl)amino]-3-fluoro-4,7-dihydroxy-5,5-dimethyl-7-(trifluoromethyl)-6,8-dihydronaphthalene-1-carbaldehyde
CID 150508899
3-chloro-2-fluoro-5-[(5-hydroxynaphthalen-1-yl)amino]-8,8-dimethyl-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
CID 87093045
7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol
CID 11955997
5-[[6-chloro-2,5-dihydroxy-4,4,7-trimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1H-quinolin-2-one
CID 87092819
2-chloro-8,8-dimethyl-5-[(2-methylquinazolin-5-yl)amino]-6-(1,1,2,2,2-pentafluoroethyl)-5,7-dihydronaphthalene-1,6-diol
CID 87538486
5-[[7-chloro-2,5-dihydroxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1H-quinolin-2-one
CID 86600755

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol?
The IUPAC name of 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol (CID 68681232) is 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol.
What is the SMILES notation for 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol?
The canonical SMILES for 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol is Cc1ccc2c(NC3c4cc(O)ccc4C(C)(C)CC3(O)C(F)(F)F)cccc2n1.
What is the InChIKey of 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol?
The InChIKey is DVUTYJQBMNIMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c1-13-7-9-15-18(27-13)5-4-6-19(15)28-20-16-11-14(29)8-10-17(16)21(2,3)12-22(20,30)23(24,25)26/h4-11,20,28-30H,12H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol?
4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol has a molecular weight of 416.44 g/mol, XLogP of 5.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol is sourced from PubChem (CID 68681232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).