5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one

C14H17NO4 — CID 110175547

IUPAC5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one
SMILESCOc1cc(OCCN(C)C)c2c(=O)ccoc2c1
InChIInChI=1S/C14H17NO4/c1-15(2)5-7-19-13-9-10(17-3)8-12-14(13)11(16)4-6-18-12/h4,6,8-9H,5,7H2,1-3H3
InChIKeyMCXDUSAVHANJKC-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.74
Rot. Bonds5

About 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one

5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one (PubChem CID 110175547) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one
PubChem CID110175547
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one
SMILESCOc1cc(OCCN(C)C)c2c(=O)ccoc2c1
InChIInChI=1S/C14H17NO4/c1-15(2)5-7-19-13-9-10(17-3)8-12-14(13)11(16)4-6-18-12/h4,6,8-9H,5,7H2,1-3H3
InChIKeyMCXDUSAVHANJKC-UHFFFAOYSA-N
XLogP1.74
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-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 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one (CID 110175547) is 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one is COc1cc(OCCN(C)C)c2c(=O)ccoc2c1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one?
The InChIKey is MCXDUSAVHANJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(2)5-7-19-13-9-10(17-3)8-12-14(13)11(16)4-6-18-12/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one?
5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one has a molecular weight of 263.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-7-methoxychromen-4-one is sourced from PubChem (CID 110175547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).