[3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate

C21H19NO5 — CID 71664359

IUPAC[3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate
SMILESCOc1ccc(-c2coc3cc(OC(=O)N4CCCC4)ccc3c2=O)cc1
InChIInChI=1S/C21H19NO5/c1-25-15-6-4-14(5-7-15)18-13-26-19-12-16(8-9-17(19)20(18)23)27-21(24)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyMMNRZQNZFYTTFC-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.06
Rot. Bonds3

About [3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate

[3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate (PubChem CID 71664359) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate
PubChem CID71664359
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name[3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate
SMILESCOc1ccc(-c2coc3cc(OC(=O)N4CCCC4)ccc3c2=O)cc1
InChIInChI=1S/C21H19NO5/c1-25-15-6-4-14(5-7-15)18-13-26-19-12-16(8-9-17(19)20(18)23)27-21(24)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3
InChIKeyMMNRZQNZFYTTFC-UHFFFAOYSA-N
XLogP4.06
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198
N-hydroxy-4-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxycarbonylbenzeneamine oxide
CID 163172406
3-(4-methoxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxychromen-4-one
CID 162818894
3-(4-methoxyphenyl)-7-(3,4,5,6-tetrahydroxyoxan-2-yl)oxychromen-4-one
CID 162818892
[3-(4-bromophenyl)-4-oxochromen-7-yl] cyclopropanecarboxylate
CID 2012086
7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 166201379
[4-(7-methoxy-4-oxochromen-3-yl)phenyl] octadecanoate
CID 46887096
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] 4-benzylpiperidine-1-carboxylate
CID 71664265
(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate
CID 23965769
3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
CID 2032343

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate?
The IUPAC name of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate (CID 71664359) is [3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate?
The canonical SMILES for [3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate is COc1ccc(-c2coc3cc(OC(=O)N4CCCC4)ccc3c2=O)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate?
The InChIKey is MMNRZQNZFYTTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-25-15-6-4-14(5-7-15)18-13-26-19-12-16(8-9-17(19)20(18)23)27-21(24)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate?
[3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 71664359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).