6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one

C22H23NO4 — CID 118708574

IUPAC6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one
SMILESCOc1cc2oc(-c3ccc(CN4CCCC4)cc3)cc(=O)c2cc1OC
InChIInChI=1S/C22H23NO4/c1-25-21-11-17-18(24)12-19(27-20(17)13-22(21)26-2)16-7-5-15(6-8-16)14-23-9-3-4-10-23/h5-8,11-13H,3-4,9-10,14H2,1-2H3
InChIKeySHPCADFURJJOOU-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.07
Rot. Bonds5

About 6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one

6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one (PubChem CID 118708574) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one
PubChem CID118708574
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one
SMILESCOc1cc2oc(-c3ccc(CN4CCCC4)cc3)cc(=O)c2cc1OC
InChIInChI=1S/C22H23NO4/c1-25-21-11-17-18(24)12-19(27-20(17)13-22(21)26-2)16-7-5-15(6-8-16)14-23-9-3-4-10-23/h5-8,11-13H,3-4,9-10,14H2,1-2H3
InChIKeySHPCADFURJJOOU-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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Related Compounds

6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one
CID 141111806
2-(3,4-dimethoxyphenyl)-7-(8-pyrrolidin-1-yloctoxy)chromen-4-one
CID 127036654
6-amino-2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
CID 72705992
6,7-dimethoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 71436763
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
[4-(5,6,7-trimethoxy-4-oxochromen-2-yl)phenyl] 4-benzylpiperazine-1-carboxylate
CID 118728182
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
6-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-7-methoxy-3,4-dimethylchromen-2-one
CID 19927675
2-(3-amino-4-methoxyphenyl)-7-ethylchromen-4-one
CID 82046634
6-ethyl-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 28811781
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one?
The IUPAC name of 6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one (CID 118708574) is 6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one?
The canonical SMILES for 6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one is COc1cc2oc(-c3ccc(CN4CCCC4)cc3)cc(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one?
The InChIKey is SHPCADFURJJOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-21-11-17-18(24)12-19(27-20(17)13-22(21)26-2)16-7-5-15(6-8-16)14-23-9-3-4-10-23/h5-8,11-13H,3-4,9-10,14H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one?
6,7-dimethoxy-2-[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-2-[4-(pyrrolidin-1-ylmethyl)phenyl]chromen-4-one is sourced from PubChem (CID 118708574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).