3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one

C25H27NO7 — CID 41118369

IUPAC3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCC(=O)N4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1OC
InChIInChI=1S/C25H27NO7/c1-15-11-26(12-16(2)33-15)24(27)14-31-18-6-7-19-22(10-18)32-13-20(25(19)28)17-5-8-21(29-3)23(9-17)30-4/h5-10,13,15-16H,11-12,14H2,1-4H3/t15-,16-/m0/s1
InChIKeySQCSLGMDRHESCM-HOTGVXAUSA-N
MW453.49 g/mol
LogP3.49
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one

3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one (PubChem CID 41118369) has the molecular formula C25H27NO7 and a molecular weight of 453.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one
PubChem CID41118369
Molecular FormulaC25H27NO7
Molecular Weight453.49 g/mol
Exact Mass453.18
IUPAC Name3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCC(=O)N4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1OC
InChIInChI=1S/C25H27NO7/c1-15-11-26(12-16(2)33-15)24(27)14-31-18-6-7-19-22(10-18)32-13-20(25(19)28)17-5-8-21(29-3)23(9-17)30-4/h5-10,13,15-16H,11-12,14H2,1-4H3/t15-,16-/m0/s1
InChIKeySQCSLGMDRHESCM-HOTGVXAUSA-N
XLogP3.49
TPSA87.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one with MolForge

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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
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 41091483
3-(3,4-dimethoxyphenyl)-7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]chromen-4-one
CID 41130247
7-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 40919216
7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]-3-(4-tert-butylphenyl)chromen-4-one
CID 121309110
7-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641848
3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 53349496
7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 166201379
7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 7641888
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
2-[3-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 906607
7-(2-morpholin-4-yl-2-oxoethoxy)-3-[4-(trifluoromethoxy)phenyl]chromen-4-one
CID 121309102

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one (CID 41118369) is 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one is COc1ccc(-c2coc3cc(OCC(=O)N4C[C@H](C)O[C@@H](C)C4)ccc3c2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one?
The InChIKey is SQCSLGMDRHESCM-HOTGVXAUSA-N. The full InChI is InChI=1S/C25H27NO7/c1-15-11-26(12-16(2)33-15)24(27)14-31-18-6-7-19-22(10-18)32-13-20(25(19)28)17-5-8-21(29-3)23(9-17)30-4/h5-10,13,15-16H,11-12,14H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one?
3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one has a molecular weight of 453.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one is sourced from PubChem (CID 41118369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).