1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone

C27H25NO2 — CID 10644405

IUPAC1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1
InChIInChI=1S/C27H25NO2/c1-16-15-27(3,4)28-22-14-13-21-20-7-5-6-8-23(20)30-26(25(21)24(16)22)19-11-9-18(10-12-19)17(2)29/h5-15,26,28H,1-4H3
InChIKeyOMHHADZDFHTLHU-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.65
Rot. Bonds2

About 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone

1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone (PubChem CID 10644405) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone
PubChem CID10644405
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1
InChIInChI=1S/C27H25NO2/c1-16-15-27(3,4)28-22-14-13-21-20-7-5-6-8-23(20)30-26(25(21)24(16)22)19-11-9-18(10-12-19)17(2)29/h5-15,26,28H,1-4H3
InChIKeyOMHHADZDFHTLHU-UHFFFAOYSA-N
XLogP6.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone (CID 10644405) is 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone is CC(=O)c1ccc(C2Oc3ccccc3-c3ccc4c(c32)C(C)=CC(C)(C)N4)cc1.
What is the InChIKey of 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone?
The InChIKey is OMHHADZDFHTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c1-16-15-27(3,4)28-22-14-13-21-20-7-5-6-8-23(20)30-26(25(21)24(16)22)19-11-9-18(10-12-19)17(2)29/h5-15,26,28H,1-4H3.
What are the key properties of 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone?
1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone has a molecular weight of 395.50 g/mol, XLogP of 6.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl]ethanone is sourced from PubChem (CID 10644405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).