5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

C26H24ClNO2 — CID 22314991

IUPAC5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccccc1)Oc1ccc(O)c(Cl)c1-3
InChIInChI=1S/C26H24ClNO2/c1-15-14-26(2,3)28-18-10-9-17-23(22(15)18)21(13-16-7-5-4-6-8-16)30-20-12-11-19(29)25(27)24(17)20/h4-12,14,21,28-29H,13H2,1-3H3
InChIKeyYNLDQICMAXKZHG-UHFFFAOYSA-N
MW417.94 g/mol
LogP7.00
Rot. Bonds2

About 5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (PubChem CID 22314991) has the molecular formula C26H24ClNO2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
PubChem CID22314991
Molecular FormulaC26H24ClNO2
Molecular Weight417.94 g/mol
Exact Mass417.15
IUPAC Name5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccccc1)Oc1ccc(O)c(Cl)c1-3
InChIInChI=1S/C26H24ClNO2/c1-15-14-26(2,3)28-18-10-9-17-23(22(15)18)21(13-16-7-5-4-6-8-16)30-20-12-11-19(29)25(27)24(17)20/h4-12,14,21,28-29H,13H2,1-3H3
InChIKeyYNLDQICMAXKZHG-UHFFFAOYSA-N
XLogP7.00
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The IUPAC name of 5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (CID 22314991) is 5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for 5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for 5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccccc1)Oc1ccc(O)c(Cl)c1-3.
What is the InChIKey of 5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The InChIKey is YNLDQICMAXKZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClNO2/c1-15-14-26(2,3)28-18-10-9-17-23(22(15)18)21(13-16-7-5-4-6-8-16)30-20-12-11-19(29)25(27)24(17)20/h4-12,14,21,28-29H,13H2,1-3H3.
What are the key properties of 5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol has a molecular weight of 417.94 g/mol, XLogP of 7.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-10-chloro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 22314991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).