7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one

C23H25NO4 — CID 155534883

IUPAC7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCCNC4CCCC4)ccc3c2=O)cc1
InChIInChI=1S/C23H25NO4/c1-26-18-8-6-16(7-9-18)21-15-28-22-14-19(10-11-20(22)23(21)25)27-13-12-24-17-4-2-3-5-17/h6-11,14-15,17,24H,2-5,12-13H2,1H3
InChIKeyKHXPXAKXEQDVJW-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.38
Rot. Bonds7

About 7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one

7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 155534883) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one
PubChem CID155534883
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCCNC4CCCC4)ccc3c2=O)cc1
InChIInChI=1S/C23H25NO4/c1-26-18-8-6-16(7-9-18)21-15-28-22-14-19(10-11-20(22)23(21)25)27-13-12-24-17-4-2-3-5-17/h6-11,14-15,17,24H,2-5,12-13H2,1H3
InChIKeyKHXPXAKXEQDVJW-UHFFFAOYSA-N
XLogP4.38
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2-(2-benzoyl-5-methoxyphenoxy)-N-cyclopropylacetamide
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7-(2-Dimethylamino-ethoxy)-2-phenyl-chromen-4-one
CID 121180
7-(6-Amino-hexyloxy)-3-(4-hydroxy-phenyl)-chromen-4-one
CID 9819934
7-Hydroxy-3-(4-hydroxy-phenyl)-2-[4-(2-piperidin-1-yl-ethoxy)-benzoyl]-chromen-4-one
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3,6-Bis[5-(diethylamino)pentoxy]xanthen-9-one
CID 10185899
7-{3-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-propoxy}-3-methyl-chromen-4-one
CID 10502396

Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one (CID 155534883) is 7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3cc(OCCNC4CCCC4)ccc3c2=O)cc1.
What is the InChIKey of 7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is KHXPXAKXEQDVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-26-18-8-6-16(7-9-18)21-15-28-22-14-19(10-11-20(22)23(21)25)27-13-12-24-17-4-2-3-5-17/h6-11,14-15,17,24H,2-5,12-13H2,1H3.
What are the key properties of 7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one?
7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 379.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopentylamino)ethoxy]-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 155534883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).