6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one

C26H29NO3 — CID 54374565

IUPAC6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
SMILESCCN(CC)CCOc1ccc2c(=O)c3c(oc2c1)C(=Cc1ccccc1C)CC3
InChIInChI=1S/C26H29NO3/c1-4-27(5-2)14-15-29-21-11-13-22-24(17-21)30-26-20(10-12-23(26)25(22)28)16-19-9-7-6-8-18(19)3/h6-9,11,13,16-17H,4-5,10,12,14-15H2,1-3H3
InChIKeyUVORZKSJFAVPNK-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.31
Rot. Bonds7

About 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one

6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one (PubChem CID 54374565) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one.

Molecular Properties

Compound Name6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
PubChem CID54374565
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
SMILESCCN(CC)CCOc1ccc2c(=O)c3c(oc2c1)C(=Cc1ccccc1C)CC3
InChIInChI=1S/C26H29NO3/c1-4-27(5-2)14-15-29-21-11-13-22-24(17-21)30-26-20(10-12-23(26)25(22)28)16-19-9-7-6-8-18(19)3/h6-9,11,13,16-17H,4-5,10,12,14-15H2,1-3H3
InChIKeyUVORZKSJFAVPNK-UHFFFAOYSA-N
XLogP5.31
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one with MolForge

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

Launch Full Analysis

Related Compounds

(3E)-3-benzylidene-7-[2-(diethylamino)ethoxy]-1,2-dihydrocyclopenta[b]chromen-9-one
CID 70430720
2-[[3-[(2-ethoxyphenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 54370253
2-[[(3E)-3-[(2,5-dimethylphenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 70431967
3-[2-(diethylamino)ethoxy]-6-ethoxyxanthen-9-one
CID 154225288
7-amino-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54127512
3-[2-(diethylamino)ethoxy]-6-[2-[ethyl(methyl)amino]ethoxy]xanthen-9-one
CID 142069060
2-[[(3E)-3-benzylidene-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 13375271
3-[4-(diethylamino)butoxy]xanthen-9-one
CID 25199046
2-[[(3E)-3-[(3-methylphenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 70430390
2-[[(3E)-3-[(3-methoxyphenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 70431507
4-bromo-6-[2-(diethylamino)ethoxy]-1,3-dimethoxyxanthen-9-one
CID 163444689
2-[[3-[(4-fluorophenyl)methylidene]-9-oxo-1,2-dihydrocyclopenta[b]chromen-6-yl]oxy]acetic acid
CID 54278752

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one?
The IUPAC name of 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one (CID 54374565) is 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one.
What is the SMILES notation for 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one?
The canonical SMILES for 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one is CCN(CC)CCOc1ccc2c(=O)c3c(oc2c1)C(=Cc1ccccc1C)CC3.
What is the InChIKey of 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one?
The InChIKey is UVORZKSJFAVPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-4-27(5-2)14-15-29-21-11-13-22-24(17-21)30-26-20(10-12-23(26)25(22)28)16-19-9-7-6-8-18(19)3/h6-9,11,13,16-17H,4-5,10,12,14-15H2,1-3H3.
What are the key properties of 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one?
6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one has a molecular weight of 403.52 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethoxy]-3-[(2-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]chromen-9-one is sourced from PubChem (CID 54374565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).