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

C26H24FNO — CID 10596252

IUPAC5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)c(F)c1)Oc1ccccc1-3
InChIInChI=1S/C26H24FNO/c1-15-9-10-17(13-20(15)27)25-24-19(18-7-5-6-8-22(18)29-25)11-12-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3
InChIKeyNTYALJAURYTROE-UHFFFAOYSA-N
MW385.48 g/mol
LogP6.89
Rot. Bonds1

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

5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10596252) has the molecular formula C26H24FNO and a molecular weight of 385.48 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10596252
Molecular FormulaC26H24FNO
Molecular Weight385.48 g/mol
Exact Mass385.18
IUPAC Name5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)c(F)c1)Oc1ccccc1-3
InChIInChI=1S/C26H24FNO/c1-15-9-10-17(13-20(15)27)25-24-19(18-7-5-6-8-22(18)29-25)11-12-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3
InChIKeyNTYALJAURYTROE-UHFFFAOYSA-N
XLogP6.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10596252) is 5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccc(C)c(F)c1)Oc1ccccc1-3.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is NTYALJAURYTROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO/c1-15-9-10-17(13-20(15)27)25-24-19(18-7-5-6-8-22(18)29-25)11-12-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 385.48 g/mol, XLogP of 6.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10596252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).