5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol

C26H24FNO2 — CID 11003921

IUPAC5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(O)(Cc1ccccc1)Oc1c(F)cccc1-3
InChIInChI=1S/C26H24FNO2/c1-16-14-25(2,3)28-21-13-12-18-19-10-7-11-20(27)24(19)30-26(29,23(18)22(16)21)15-17-8-5-4-6-9-17/h4-14,28-29H,15H2,1-3H3
InChIKeyJHWXADPMCJOVTA-UHFFFAOYSA-N
MW401.48 g/mol
LogP5.88
Rot. Bonds2

About 5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol

5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol (PubChem CID 11003921) has the molecular formula C26H24FNO2 and a molecular weight of 401.48 g/mol. Its IUPAC name is 5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol.

Molecular Properties

Compound Name5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol
PubChem CID11003921
Molecular FormulaC26H24FNO2
Molecular Weight401.48 g/mol
Exact Mass401.18
IUPAC Name5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(O)(Cc1ccccc1)Oc1c(F)cccc1-3
InChIInChI=1S/C26H24FNO2/c1-16-14-25(2,3)28-21-13-12-18-19-10-7-11-20(27)24(19)30-26(29,23(18)22(16)21)15-17-8-5-4-6-9-17/h4-14,28-29H,15H2,1-3H3
InChIKeyJHWXADPMCJOVTA-UHFFFAOYSA-N
XLogP5.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol?
The IUPAC name of 5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol (CID 11003921) is 5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol.
What is the SMILES notation for 5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol?
The canonical SMILES for 5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol is CC1=CC(C)(C)Nc2ccc3c(c21)C(O)(Cc1ccccc1)Oc1c(F)cccc1-3.
What is the InChIKey of 5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol?
The InChIKey is JHWXADPMCJOVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO2/c1-16-14-25(2,3)28-21-13-12-18-19-10-7-11-20(27)24(19)30-26(29,23(18)22(16)21)15-17-8-5-4-6-9-17/h4-14,28-29H,15H2,1-3H3.
What are the key properties of 5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol?
5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol has a molecular weight of 401.48 g/mol, XLogP of 5.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol is sourced from PubChem (CID 11003921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).