8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one

C26H30N2O6 — CID 16746498

IUPAC8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2ccc(=O)oc2c1C(CC(=O)N1CCOCC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C26H30N2O6/c1-27(2)18-7-5-17(6-8-18)20(15-23(29)28-11-13-33-14-12-28)25-22(32-4)16-21(31-3)19-9-10-24(30)34-26(19)25/h5-10,16,20H,11-15H2,1-4H3
InChIKeyFTBAUYNAXYJVGK-UHFFFAOYSA-N
MW466.53 g/mol
LogP3.26
Rot. Bonds7

About 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one

8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one (PubChem CID 16746498) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one.

Molecular Properties

Compound Name8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one
PubChem CID16746498
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Name8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one
SMILESCOc1cc(OC)c2ccc(=O)oc2c1C(CC(=O)N1CCOCC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C26H30N2O6/c1-27(2)18-7-5-17(6-8-18)20(15-23(29)28-11-13-33-14-12-28)25-22(32-4)16-21(31-3)19-9-10-24(30)34-26(19)25/h5-10,16,20H,11-15H2,1-4H3
InChIKeyFTBAUYNAXYJVGK-UHFFFAOYSA-N
XLogP3.26
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-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 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one?
The IUPAC name of 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one (CID 16746498) is 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one.
What is the SMILES notation for 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one?
The canonical SMILES for 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one is COc1cc(OC)c2ccc(=O)oc2c1C(CC(=O)N1CCOCC1)c1ccc(N(C)C)cc1.
What is the InChIKey of 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one?
The InChIKey is FTBAUYNAXYJVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-27(2)18-7-5-17(6-8-18)20(15-23(29)28-11-13-33-14-12-28)25-22(32-4)16-21(31-3)19-9-10-24(30)34-26(19)25/h5-10,16,20H,11-15H2,1-4H3.
What are the key properties of 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one?
8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one has a molecular weight of 466.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxopropyl]-5,7-dimethoxychromen-2-one is sourced from PubChem (CID 16746498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).