2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol

C23H22F4N2O2 — CID 11951522

IUPAC2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol
SMILESCc1ccc2c(NC3c4ccc(F)c(O)c4C(C)C(C)C3(O)C(F)(F)F)cccc2n1
InChIInChI=1S/C23H22F4N2O2/c1-11-7-8-14-17(28-11)5-4-6-18(14)29-21-15-9-10-16(24)20(30)19(15)12(2)13(3)22(21,31)23(25,26)27/h4-10,12-13,21,29-31H,1-3H3
InChIKeyPLZHMMUQWYAGCF-UHFFFAOYSA-N
MW434.43 g/mol
LogP5.59
Rot. Bonds2

About 2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol

2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol (PubChem CID 11951522) has the molecular formula C23H22F4N2O2 and a molecular weight of 434.43 g/mol. Its IUPAC name is 2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol.

Molecular Properties

Compound Name2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol
PubChem CID11951522
Molecular FormulaC23H22F4N2O2
Molecular Weight434.43 g/mol
Exact Mass434.16
IUPAC Name2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol
SMILESCc1ccc2c(NC3c4ccc(F)c(O)c4C(C)C(C)C3(O)C(F)(F)F)cccc2n1
InChIInChI=1S/C23H22F4N2O2/c1-11-7-8-14-17(28-11)5-4-6-18(14)29-21-15-9-10-16(24)20(30)19(15)12(2)13(3)22(21,31)23(25,26)27/h4-10,12-13,21,29-31H,1-3H3
InChIKeyPLZHMMUQWYAGCF-UHFFFAOYSA-N
XLogP5.59
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.43
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol?
The IUPAC name of 2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol (CID 11951522) is 2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol.
What is the SMILES notation for 2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol?
The canonical SMILES for 2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol is Cc1ccc2c(NC3c4ccc(F)c(O)c4C(C)C(C)C3(O)C(F)(F)F)cccc2n1.
What is the InChIKey of 2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol?
The InChIKey is PLZHMMUQWYAGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N2O2/c1-11-7-8-14-17(28-11)5-4-6-18(14)29-21-15-9-10-16(24)20(30)19(15)12(2)13(3)22(21,31)23(25,26)27/h4-10,12-13,21,29-31H,1-3H3.
What are the key properties of 2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol?
2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol has a molecular weight of 434.43 g/mol, XLogP of 5.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7,8-dimethyl-5-[(2-methylquinolin-5-yl)amino]-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol is sourced from PubChem (CID 11951522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).