7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one

C21H27NO5 — CID 166066829

IUPAC7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one
SMILESCCCCCc1cc(O)cc2oc(=O)c(C(=O)CCN3CCOCC3)cc12
InChIInChI=1S/C21H27NO5/c1-2-3-4-5-15-12-16(23)13-20-17(15)14-18(21(25)27-20)19(24)6-7-22-8-10-26-11-9-22/h12-14,23H,2-11H2,1H3
InChIKeyKPOSUBPHCCHFIK-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.14
Rot. Bonds8

About 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one

7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one (PubChem CID 166066829) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one
PubChem CID166066829
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one
SMILESCCCCCc1cc(O)cc2oc(=O)c(C(=O)CCN3CCOCC3)cc12
InChIInChI=1S/C21H27NO5/c1-2-3-4-5-15-12-16(23)13-20-17(15)14-18(21(25)27-20)19(24)6-7-22-8-10-26-11-9-22/h12-14,23H,2-11H2,1H3
InChIKeyKPOSUBPHCCHFIK-UHFFFAOYSA-N
XLogP3.14
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-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 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one?
The IUPAC name of 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one (CID 166066829) is 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one is CCCCCc1cc(O)cc2oc(=O)c(C(=O)CCN3CCOCC3)cc12.
What is the InChIKey of 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one?
The InChIKey is KPOSUBPHCCHFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-2-3-4-5-15-12-16(23)13-20-17(15)14-18(21(25)27-20)19(24)6-7-22-8-10-26-11-9-22/h12-14,23H,2-11H2,1H3.
What are the key properties of 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one?
7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one has a molecular weight of 373.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(3-morpholin-4-ylpropanoyl)-5-pentylchromen-2-one is sourced from PubChem (CID 166066829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).