3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one

C20H18ClNO4 — CID 5310928

IUPAC3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCOCC3)c(O)ccc12
InChIInChI=1S/C20H18ClNO4/c21-14-3-1-13(2-4-14)17-12-26-20-15(19(17)24)5-6-18(23)16(20)11-22-7-9-25-10-8-22/h1-6,12,23H,7-11H2
InChIKeyVNGKNXZGGMTAFC-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.65
Rot. Bonds3

About 3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one

3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one (PubChem CID 5310928) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one
PubChem CID5310928
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCOCC3)c(O)ccc12
InChIInChI=1S/C20H18ClNO4/c21-14-3-1-13(2-4-14)17-12-26-20-15(19(17)24)5-6-18(23)16(20)11-22-7-9-25-10-8-22/h1-6,12,23H,7-11H2
InChIKeyVNGKNXZGGMTAFC-UHFFFAOYSA-N
XLogP3.65
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one?
The IUPAC name of 3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one (CID 5310928) is 3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one is O=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCOCC3)c(O)ccc12.
What is the InChIKey of 3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one?
The InChIKey is VNGKNXZGGMTAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c21-14-3-1-13(2-4-14)17-12-26-20-15(19(17)24)5-6-18(23)16(20)11-22-7-9-25-10-8-22/h1-6,12,23H,7-11H2.
What are the key properties of 3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one?
3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one has a molecular weight of 371.82 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-hydroxy-8-(morpholin-4-ylmethyl)chromen-4-one is sourced from PubChem (CID 5310928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).