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

C21H18F5N3O2 — CID 143538069

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

(6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol (PubChem CID 143538069) has the molecular formula C21H18F5N3O2 and a molecular weight of 439.38 g/mol. Its IUPAC name is (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol.

Molecular Properties

• Compound Name: (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol
• PubChem CID: 143538069
• Molecular Formula: C21H18F5N3O2
• Molecular Weight: 439.38 g/mol
• Exact Mass: 439.13
• IUPAC Name: (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol
• SMILES: Cc1ncc2c(NC3c4ccc(F)c(O)c4C(C)C[C@]3(O)C(F)(F)F)ccc(F)c2n1
• InChI: InChI=1S/C21H18F5N3O2/c1-9-7-20(31,21(24,25)26)19(11-3-4-14(23)18(30)16(9)11)29-15-6-5-13(22)17-12(15)8-27-10(2)28-17/h3-6,8-9,19,29-31H,7H2,1-2H3/t9?,19?,20-/m1/s1
• InChIKey: SDFWSOANFLGDST-IWGZNCLASA-N
• XLogP: 4.88
• TPSA: 78.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.38
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol?

The IUPAC name of (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol (CID 143538069) is (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol.

What is the SMILES notation for (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol?

The canonical SMILES for (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol is Cc1ncc2c(NC3c4ccc(F)c(O)c4C(C)C[C@]3(O)C(F)(F)F)ccc(F)c2n1.

What is the InChIKey of (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol?

The InChIKey is SDFWSOANFLGDST-IWGZNCLASA-N. The full InChI is InChI=1S/C21H18F5N3O2/c1-9-7-20(31,21(24,25)26)19(11-3-4-14(23)18(30)16(9)11)29-15-6-5-13(22)17-12(15)8-27-10(2)28-17/h3-6,8-9,19,29-31H,7H2,1-2H3/t9?,19?,20-/m1/s1.

What are the key properties of (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol?

(6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol has a molecular weight of 439.38 g/mol, XLogP of 4.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-fluoro-5-[(8-fluoro-2-methylquinazolin-5-yl)amino]-8-methyl-6-(trifluoromethyl)-7,8-dihydro-5H-naphthalene-1,6-diol is sourced from PubChem (CID 143538069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).