5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

C26H25NO — CID 10499217

IUPAC5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccccc1)Oc1ccccc1-3
InChIInChI=1S/C26H25NO/c1-17-16-26(2,3)27-21-14-13-20-19-11-7-8-12-22(19)28-23(25(20)24(17)21)15-18-9-5-4-6-10-18/h4-14,16,23,27H,15H2,1-3H3
InChIKeyDVHGADYDUXNLKV-UHFFFAOYSA-N
MW367.49 g/mol
LogP6.64
Rot. Bonds2

About 5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline

5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (PubChem CID 10499217) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.

Molecular Properties

Compound Name5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
PubChem CID10499217
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccccc1)Oc1ccccc1-3
InChIInChI=1S/C26H25NO/c1-17-16-26(2,3)27-21-14-13-20-19-11-7-8-12-22(19)28-23(25(20)24(17)21)15-18-9-5-4-6-10-18/h4-14,16,23,27H,15H2,1-3H3
InChIKeyDVHGADYDUXNLKV-UHFFFAOYSA-N
XLogP6.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The IUPAC name of 5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline (CID 10499217) is 5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline.
What is the SMILES notation for 5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The canonical SMILES for 5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(c21)C(Cc1ccccc1)Oc1ccccc1-3.
What is the InChIKey of 5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
The InChIKey is DVHGADYDUXNLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-17-16-26(2,3)27-21-14-13-20-19-11-7-8-12-22(19)28-23(25(20)24(17)21)15-18-9-5-4-6-10-18/h4-14,16,23,27H,15H2,1-3H3.
What are the key properties of 5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline?
5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline has a molecular weight of 367.49 g/mol, XLogP of 6.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline is sourced from PubChem (CID 10499217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).