9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C26H23F2NO — CID 10549156

IUPAC9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)c(C)c1)Oc1ccc(F)cc1-3
InChIInChI=1S/C26H23F2NO/c1-14-11-16(5-8-20(14)28)25-24-18(19-12-17(27)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
InChIKeyNJABZHTZWQUIIY-UHFFFAOYSA-N
MW403.47 g/mol
LogP7.03
Rot. Bonds1

About 9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10549156) has the molecular formula C26H23F2NO and a molecular weight of 403.47 g/mol. Its IUPAC name is 9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10549156
Molecular FormulaC26H23F2NO
Molecular Weight403.47 g/mol
Exact Mass403.17
IUPAC Name9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)c(C)c1)Oc1ccc(F)cc1-3
InChIInChI=1S/C26H23F2NO/c1-14-11-16(5-8-20(14)28)25-24-18(19-12-17(27)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3
InChIKeyNJABZHTZWQUIIY-UHFFFAOYSA-N
XLogP7.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.47
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10549156) is 9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(F)c(C)c1)Oc1ccc(F)cc1-3.
What is the InChIKey of 9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is NJABZHTZWQUIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2NO/c1-14-11-16(5-8-20(14)28)25-24-18(19-12-17(27)6-10-22(19)30-25)7-9-21-23(24)15(2)13-26(3,4)29-21/h5-13,25,29H,1-4H3.
What are the key properties of 9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 403.47 g/mol, XLogP of 7.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5-(4-fluoro-3-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10549156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).