6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one

C22H23NO4 — CID 44551467

IUPAC6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one
SMILESCOc1cc2occ(-c3ccc(CN4CCCC4)cc3)c(=O)c2cc1OC
InChIInChI=1S/C22H23NO4/c1-25-20-11-17-19(12-21(20)26-2)27-14-18(22(17)24)16-7-5-15(6-8-16)13-23-9-3-4-10-23/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3
InChIKeyLZQNOKJATRQWGN-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.07
Rot. Bonds5

About 6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one

6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one (PubChem CID 44551467) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one
PubChem CID44551467
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one
SMILESCOc1cc2occ(-c3ccc(CN4CCCC4)cc3)c(=O)c2cc1OC
InChIInChI=1S/C22H23NO4/c1-25-20-11-17-19(12-21(20)26-2)27-14-18(22(17)24)16-7-5-15(6-8-16)13-23-9-3-4-10-23/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3
InChIKeyLZQNOKJATRQWGN-UHFFFAOYSA-N
XLogP4.07
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one?
The IUPAC name of 6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one (CID 44551467) is 6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one?
The canonical SMILES for 6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one is COc1cc2occ(-c3ccc(CN4CCCC4)cc3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one?
The InChIKey is LZQNOKJATRQWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-20-11-17-19(12-21(20)26-2)27-14-18(22(17)24)16-7-5-15(6-8-16)13-23-9-3-4-10-23/h5-8,11-12,14H,3-4,9-10,13H2,1-2H3.
What are the key properties of 6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one?
6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one has a molecular weight of 365.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one is sourced from PubChem (CID 44551467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).