(6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate

C17H19NO5 — CID 21460188

IUPAC(6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate
SMILESCC(=O)Oc1c(C)cc2c(=O)cc(N3CCOCC3)oc2c1C
InChIInChI=1S/C17H19NO5/c1-10-8-13-14(20)9-15(18-4-6-21-7-5-18)23-17(13)11(2)16(10)22-12(3)19/h8-9H,4-7H2,1-3H3
InChIKeyWBRFAVIICHPJFV-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.17
Rot. Bonds2

About (6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate

(6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate (PubChem CID 21460188) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is (6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate.

Molecular Properties

Compound Name(6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate
PubChem CID21460188
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate
SMILESCC(=O)Oc1c(C)cc2c(=O)cc(N3CCOCC3)oc2c1C
InChIInChI=1S/C17H19NO5/c1-10-8-13-14(20)9-15(18-4-6-21-7-5-18)23-17(13)11(2)16(10)22-12(3)19/h8-9H,4-7H2,1-3H3
InChIKeyWBRFAVIICHPJFV-UHFFFAOYSA-N
XLogP2.17
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate?
The IUPAC name of (6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate (CID 21460188) is (6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate.
What is the SMILES notation for (6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate?
The canonical SMILES for (6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate is CC(=O)Oc1c(C)cc2c(=O)cc(N3CCOCC3)oc2c1C.
What is the InChIKey of (6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate?
The InChIKey is WBRFAVIICHPJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-10-8-13-14(20)9-15(18-4-6-21-7-5-18)23-17(13)11(2)16(10)22-12(3)19/h8-9H,4-7H2,1-3H3.
What are the key properties of (6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate?
(6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate has a molecular weight of 317.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dimethyl-2-morpholin-4-yl-4-oxochromen-7-yl) acetate is sourced from PubChem (CID 21460188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).