7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one

C25H25NO6 — CID 166201379

IUPAC7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCC(=O)N4CCOCC4C4CC4)ccc3c2=O)cc1
InChIInChI=1S/C25H25NO6/c1-29-18-6-4-16(5-7-18)21-13-32-23-12-19(8-9-20(23)25(21)28)31-15-24(27)26-10-11-30-14-22(26)17-2-3-17/h4-9,12-13,17,22H,2-3,10-11,14-15H2,1H3
InChIKeyGNDMKZHKCUVZOD-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.48
Rot. Bonds6

About 7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one

7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 166201379) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is 7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
PubChem CID166201379
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Name7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCC(=O)N4CCOCC4C4CC4)ccc3c2=O)cc1
InChIInChI=1S/C25H25NO6/c1-29-18-6-4-16(5-7-18)21-13-32-23-12-19(8-9-20(23)25(21)28)31-15-24(27)26-10-11-30-14-22(26)17-2-3-17/h4-9,12-13,17,22H,2-3,10-11,14-15H2,1H3
InChIKeyGNDMKZHKCUVZOD-UHFFFAOYSA-N
XLogP3.48
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
3-(3,4-dimethoxyphenyl)-7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]chromen-4-one
CID 41130247
7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641888
7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-3-(4-tert-butylphenyl)chromen-4-one
CID 121309110
7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one
CID 121309102
3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
[3-(4-methoxyphenyl)-4-oxochromen-7-yl] pyrrolidine-1-carboxylate
CID 71664359
7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 40919216
3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
CID 2032343
3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one
CID 41118369
7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641848

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one (CID 166201379) is 7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3cc(OCC(=O)N4CCOCC4C4CC4)ccc3c2=O)cc1.
What is the InChIKey of 7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is GNDMKZHKCUVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-29-18-6-4-16(5-7-18)21-13-32-23-12-19(8-9-20(23)25(21)28)31-15-24(27)26-10-11-30-14-22(26)17-2-3-17/h4-9,12-13,17,22H,2-3,10-11,14-15H2,1H3.
What are the key properties of 7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one?
7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 435.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 166201379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).