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

C23H24ClNO3 — CID 3070248

IUPAC2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(C)c(-c3ccc(Cl)cc3)oc2c1CN1CCCCC1
InChIInChI=1S/C23H24ClNO3/c1-15-21(26)18-10-11-20(27-2)19(14-25-12-4-3-5-13-25)23(18)28-22(15)16-6-8-17(24)9-7-16/h6-11H,3-5,12-14H2,1-2H3
InChIKeyXMKKVRWFDSORCV-UHFFFAOYSA-N
MW397.90 g/mol
LogP5.42
Rot. Bonds4

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

2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one (PubChem CID 3070248) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one
PubChem CID3070248
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Name2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(C)c(-c3ccc(Cl)cc3)oc2c1CN1CCCCC1
InChIInChI=1S/C23H24ClNO3/c1-15-21(26)18-10-11-20(27-2)19(14-25-12-4-3-5-13-25)23(18)28-22(15)16-6-8-17(24)9-7-16/h6-11H,3-5,12-14H2,1-2H3
InChIKeyXMKKVRWFDSORCV-UHFFFAOYSA-N
XLogP5.42
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.90
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-7-methoxy-3-methyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one (CID 3070248) is 2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one is COc1ccc2c(=O)c(C)c(-c3ccc(Cl)cc3)oc2c1CN1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one?
The InChIKey is XMKKVRWFDSORCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-15-21(26)18-10-11-20(27-2)19(14-25-12-4-3-5-13-25)23(18)28-22(15)16-6-8-17(24)9-7-16/h6-11H,3-5,12-14H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one?
2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one has a molecular weight of 397.90 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-methoxy-3-methyl-8-(piperidin-1-ylmethyl)chromen-4-one is sourced from PubChem (CID 3070248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).