7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol

C25H27F3N2O3 — CID 11955997

IUPAC7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol
SMILESCOc1ccc2c(c1)C(O)(CNc1cccc3nc(C)ccc13)C(O)(C(F)(F)F)CC2(C)C
InChIInChI=1S/C25H27F3N2O3/c1-15-8-10-17-20(6-5-7-21(17)30-15)29-14-23(31)19-12-16(33-4)9-11-18(19)22(2,3)13-24(23,32)25(26,27)28/h5-12,29,31-32H,13-14H2,1-4H3
InChIKeyFRAVBRYFUQZMBP-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.83
Rot. Bonds4

About 7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol

7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol (PubChem CID 11955997) has the molecular formula C25H27F3N2O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is 7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol.

Molecular Properties

Compound Name7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol
PubChem CID11955997
Molecular FormulaC25H27F3N2O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC Name7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol
SMILESCOc1ccc2c(c1)C(O)(CNc1cccc3nc(C)ccc13)C(O)(C(F)(F)F)CC2(C)C
InChIInChI=1S/C25H27F3N2O3/c1-15-8-10-17-20(6-5-7-21(17)30-15)29-14-23(31)19-12-16(33-4)9-11-18(19)22(2,3)13-24(23,32)25(26,27)28/h5-12,29,31-32H,13-14H2,1-4H3
InChIKeyFRAVBRYFUQZMBP-UHFFFAOYSA-N
XLogP4.83
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-chloro-5-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol
CID 11849102
3-methoxy-8,8-dimethyl-5-[[(2-methylquinolin-5-yl)amino]methyl]-6-(trifluoromethyl)-5,7-dihydronaphthalene-1,6-diol
CID 11956119
4,4-dimethyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)-1,3-dihydronaphthalene-2,7-diol
CID 68681232
1,1,1-trifluoro-3-(3-methoxyphenyl)-3-[(2-methylquinolin-5-yl)amino]propan-2-ol
CID 91212730
N-tert-butyl-7-methoxy-2-methylquinolin-4-amine
CID 110433200
1-[(2-methylquinolin-5-yl)amino]propan-2-ol
CID 68606423
2-hydroxy-6-methoxy-4,4-dimethyl-2-(trifluoromethyl)-3H-naphthalen-1-one
CID 11955883
2,4-dimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
CID 17099334
2-methyl-N-(2-methylquinolin-5-yl)-2-phenoxypropanamide
CID 30308944
1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90503923
7-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435602
4-(3-methoxyanilino)-2-methylquinolin-7-ol;hydrochloride
CID 135802999

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol?
The IUPAC name of 7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol (CID 11955997) is 7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol.
What is the SMILES notation for 7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol?
The canonical SMILES for 7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol is COc1ccc2c(c1)C(O)(CNc1cccc3nc(C)ccc13)C(O)(C(F)(F)F)CC2(C)C.
What is the InChIKey of 7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol?
The InChIKey is FRAVBRYFUQZMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O3/c1-15-8-10-17-20(6-5-7-21(17)30-15)29-14-23(31)19-12-16(33-4)9-11-18(19)22(2,3)13-24(23,32)25(26,27)28/h5-12,29,31-32H,13-14H2,1-4H3.
What are the key properties of 7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol?
7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol has a molecular weight of 460.50 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,4-dimethyl-1-[[(2-methylquinolin-5-yl)amino]methyl]-2-(trifluoromethyl)-3H-naphthalene-1,2-diol is sourced from PubChem (CID 11955997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).