3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one

C22H23NO4 — CID 66572171

IUPAC3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one
SMILESCOc1ccc(-c2coc3cc(OC4CCCCC4)ccc3c2=O)cc1N
InChIInChI=1S/C22H23NO4/c1-25-20-10-7-14(11-19(20)23)18-13-26-21-12-16(8-9-17(21)22(18)24)27-15-5-3-2-4-6-15/h7-13,15H,2-6,23H2,1H3
InChIKeyZKXWMPQWGOOKHY-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.76
Rot. Bonds4

About 3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one

3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one (PubChem CID 66572171) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one
PubChem CID66572171
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one
SMILESCOc1ccc(-c2coc3cc(OC4CCCCC4)ccc3c2=O)cc1N
InChIInChI=1S/C22H23NO4/c1-25-20-10-7-14(11-19(20)23)18-13-26-21-12-16(8-9-17(21)22(18)24)27-15-5-3-2-4-6-15/h7-13,15H,2-6,23H2,1H3
InChIKeyZKXWMPQWGOOKHY-UHFFFAOYSA-N
XLogP4.76
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-cyclohexyloxy-3-phenylchromen-4-one
CID 174329821
7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-(3,4-dimethoxyphenyl)-7-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]chromen-4-one
CID 41130247
cyclohexyl 2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoate
CID 2788889
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
3-(3,4-dimethoxyphenyl)-6,7-dimethoxychromen-4-one
CID 631176
3-(3,4-dimethoxyphenyl)-7-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]chromen-4-one
CID 41118369
3-(4-methoxyphenyl)-7-(3,4,5,6-tetrahydroxyoxan-2-yl)oxychromen-4-one
CID 162818892
3-(4-methoxyphenyl)-7-[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxychromen-4-one
CID 162818894
3-(3-hydroxy-4-methoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-4-one
CID 13467712
7-[3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-(3,4-dimethoxyphenyl)chromen-4-one
CID 163105694
3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one (CID 66572171) is 3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one is COc1ccc(-c2coc3cc(OC4CCCCC4)ccc3c2=O)cc1N.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one?
The InChIKey is ZKXWMPQWGOOKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-20-10-7-14(11-19(20)23)18-13-26-21-12-16(8-9-17(21)22(18)24)27-15-5-3-2-4-6-15/h7-13,15H,2-6,23H2,1H3.
What are the key properties of 3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one?
3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one has a molecular weight of 365.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyphenyl)-7-cyclohexyloxychromen-4-one is sourced from PubChem (CID 66572171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).