8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one

C22H21NO5 — CID 15650864

IUPAC8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one
SMILESCc1c(OCC(=O)c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C22H21NO5/c1-15-20(27-14-19(25)16-5-3-2-4-6-16)8-7-17-18(24)13-21(28-22(15)17)23-9-11-26-12-10-23/h2-8,13H,9-12,14H2,1H3
InChIKeySDOTXPALCDOTAP-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.20
Rot. Bonds5

About 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one

8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one (PubChem CID 15650864) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one.

Molecular Properties

Compound Name8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one
PubChem CID15650864
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one
SMILESCc1c(OCC(=O)c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C22H21NO5/c1-15-20(27-14-19(25)16-5-3-2-4-6-16)8-7-17-18(24)13-21(28-22(15)17)23-9-11-26-12-10-23/h2-8,13H,9-12,14H2,1H3
InChIKeySDOTXPALCDOTAP-UHFFFAOYSA-N
XLogP3.20
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-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 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one?
The IUPAC name of 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one (CID 15650864) is 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one.
What is the SMILES notation for 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one?
The canonical SMILES for 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one is Cc1c(OCC(=O)c2ccccc2)ccc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one?
The InChIKey is SDOTXPALCDOTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-15-20(27-14-19(25)16-5-3-2-4-6-16)8-7-17-18(24)13-21(28-22(15)17)23-9-11-26-12-10-23/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one?
8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one has a molecular weight of 379.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-morpholin-4-yl-7-phenacyloxychromen-4-one is sourced from PubChem (CID 15650864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).