3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one

C21H20ClNO3 — CID 5450733

IUPAC3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one
SMILESO=c1c(-c2ccccc2Cl)coc2c(CN3CCCCC3)c(O)ccc12
InChIInChI=1S/C21H20ClNO3/c22-18-7-3-2-6-14(18)17-13-26-21-15(20(17)25)8-9-19(24)16(21)12-23-10-4-1-5-11-23/h2-3,6-9,13,24H,1,4-5,10-12H2
InChIKeyJANOYIURUBBYQI-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.80
Rot. Bonds3

About 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one

3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one (PubChem CID 5450733) has the molecular formula C21H20ClNO3 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one
PubChem CID5450733
Molecular FormulaC21H20ClNO3
Molecular Weight369.85 g/mol
Exact Mass369.11
IUPAC Name3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one
SMILESO=c1c(-c2ccccc2Cl)coc2c(CN3CCCCC3)c(O)ccc12
InChIInChI=1S/C21H20ClNO3/c22-18-7-3-2-6-14(18)17-13-26-21-15(20(17)25)8-9-19(24)16(21)12-23-10-4-1-5-11-23/h2-3,6-9,13,24H,1,4-5,10-12H2
InChIKeyJANOYIURUBBYQI-UHFFFAOYSA-N
XLogP4.80
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-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

Alvocidib
CID 5287969
Mepixanox
CID 65687
Flavopiridol hydrochloride
CID 9910986
Dimefline Hydrochloride
CID 443942
2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
CID 6602328
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-2,3-dihydrochromen-4-one
CID 60025609
O-Demethylbuchenavianine
CID 5352072
2-(2-Chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methylpiperidin-4-yl)chromen-4-one
CID 5466794
8-(2-Ethyl-piperidin-1-ylmethyl)-7-hydroxy-3-phenyl-chromen-4-one
CID 5345060
8-[(diethylamino)methyl]-7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one
CID 5348771
8-[(dimethylamino)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-4H-chromen-4-one
CID 5391088
(R)-(+)-O-Demethylbuchenavianine
CID 57342709

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one?
The IUPAC name of 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one (CID 5450733) is 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one.
What is the SMILES notation for 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one?
The canonical SMILES for 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one is O=c1c(-c2ccccc2Cl)coc2c(CN3CCCCC3)c(O)ccc12.
What is the InChIKey of 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one?
The InChIKey is JANOYIURUBBYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO3/c22-18-7-3-2-6-14(18)17-13-26-21-15(20(17)25)8-9-19(24)16(21)12-23-10-4-1-5-11-23/h2-3,6-9,13,24H,1,4-5,10-12H2.
What are the key properties of 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one?
3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one has a molecular weight of 369.85 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one is sourced from PubChem (CID 5450733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).