7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol

C23H14F3NO3 — CID 135446024

IUPAC7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol
SMILESOc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H14F3NO3/c24-23(25,26)13-3-1-12(2-4-13)21-17-9-14(28)6-8-19(17)27-22-16-7-5-15(29)10-20(16)30-11-18(21)22/h1-10,28-29H,11H2
InChIKeyJAWNBJUVLYLZIH-UHFFFAOYSA-N
MW409.36 g/mol
LogP5.89
Rot. Bonds1

About 7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol

7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol (PubChem CID 135446024) has the molecular formula C23H14F3NO3 and a molecular weight of 409.36 g/mol. Its IUPAC name is 7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol.

Molecular Properties

Compound Name7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol
PubChem CID135446024
Molecular FormulaC23H14F3NO3
Molecular Weight409.36 g/mol
Exact Mass409.09
IUPAC Name7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol
SMILESOc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H14F3NO3/c24-23(25,26)13-3-1-12(2-4-13)21-17-9-14(28)6-8-19(17)27-22-16-7-5-15(29)10-20(16)30-11-18(21)22/h1-10,28-29H,11H2
InChIKeyJAWNBJUVLYLZIH-UHFFFAOYSA-N
XLogP5.89
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.36
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol?
The IUPAC name of 7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol (CID 135446024) is 7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol.
What is the SMILES notation for 7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol?
The canonical SMILES for 7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol is Oc1ccc2c(c1)OCc1c-2nc2ccc(O)cc2c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol?
The InChIKey is JAWNBJUVLYLZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO3/c24-23(25,26)13-3-1-12(2-4-13)21-17-9-14(28)6-8-19(17)27-22-16-7-5-15(29)10-20(16)30-11-18(21)22/h1-10,28-29H,11H2.
What are the key properties of 7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol?
7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol has a molecular weight of 409.36 g/mol, XLogP of 5.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(trifluoromethyl)phenyl]-6H-chromeno[4,3-b]quinoline-3,9-diol is sourced from PubChem (CID 135446024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).