7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one

C133H133N5O29 — CID 160908863

IUPAC7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one
SMILESCCCCC(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC.CN(C)CCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.CN1CCN(CCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1.COc1c(OC(=O)c2ccc(C)cc2)cc2oc(-c3ccccc3)cc(=O)c2c1O.O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCCCC3)cc(O)c12.O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCOCC3)cc(O)c12
InChIInChI=1S/C24H18O6.C23H26N2O4.C23H25NO4.C22H23NO5.C21H20O6.C20H21NO4/c1-14-8-10-16(11-9-14)24(27)30-20-13-19-21(22(26)23(20)28-2)17(25)12-18(29-19)15-6-4-3-5-7-15;1-24-9-11-25(12-10-24)8-5-13-28-18-14-19(26)23-20(27)16-21(29-22(23)15-18)17-6-3-2-4-7-17;25-19-14-18(27-13-7-12-24-10-5-2-6-11-24)15-22-23(19)20(26)16-21(28-22)17-8-3-1-4-9-17;24-18-13-17(27-10-4-7-23-8-11-26-12-9-23)14-21-22(18)19(25)15-20(28-21)16-5-2-1-3-6-16;1-3-4-10-18(23)27-17-12-16-19(20(24)21(17)25-2)14(22)11-15(26-16)13-8-6-5-7-9-13;1-21(2)9-6-10-24-15-11-16(22)20-17(23)13-18(25-19(20)12-15)14-7-4-3-5-8-14/h3-13,26H,1-2H3;2-4,6-7,14-16,26H,5,8-13H2,1H3;1,3-4,8-9,14-16,25H,2,5-7,10-13H2;1-3,5-6,13-15,24H,4,7-12H2;5-9,11-12,24H,3-4,10H2,1-2H3;3-5,7-8,11-13,22H,6,9-10H2,1-2H3
InChIKeySQMVOZYDICOOBY-UHFFFAOYSA-N
MW2265.53 g/mol
LogP23.34
Rot. Bonds34

About 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one

7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one (PubChem CID 160908863) has the molecular formula C133H133N5O29 and a molecular weight of 2265.53 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one.

Molecular Properties

Compound Name7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one
PubChem CID160908863
Molecular FormulaC133H133N5O29
Molecular Weight2265.53 g/mol
Exact Mass2263.91
IUPAC Name7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one
SMILESCCCCC(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC.CN(C)CCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.CN1CCN(CCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1.COc1c(OC(=O)c2ccc(C)cc2)cc2oc(-c3ccccc3)cc(=O)c2c1O.O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCCCC3)cc(O)c12.O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCOCC3)cc(O)c12
InChIInChI=1S/C24H18O6.C23H26N2O4.C23H25NO4.C22H23NO5.C21H20O6.C20H21NO4/c1-14-8-10-16(11-9-14)24(27)30-20-13-19-21(22(26)23(20)28-2)17(25)12-18(29-19)15-6-4-3-5-7-15;1-24-9-11-25(12-10-24)8-5-13-28-18-14-19(26)23-20(27)16-21(29-22(23)15-18)17-6-3-2-4-7-17;25-19-14-18(27-13-7-12-24-10-5-2-6-11-24)15-22-23(19)20(26)16-21(28-22)17-8-3-1-4-9-17;24-18-13-17(27-10-4-7-23-8-11-26-12-9-23)14-21-22(18)19(25)15-20(28-21)16-5-2-1-3-6-16;1-3-4-10-18(23)27-17-12-16-19(20(24)21(17)25-2)14(22)11-15(26-16)13-8-6-5-7-9-13;1-21(2)9-6-10-24-15-11-16(22)20-17(23)13-18(25-19(20)12-15)14-7-4-3-5-8-14/h3-13,26H,1-2H3;2-4,6-7,14-16,26H,5,8-13H2,1H3;1,3-4,8-9,14-16,25H,2,5-7,10-13H2;1-3,5-6,13-15,24H,4,7-12H2;5-9,11-12,24H,3-4,10H2,1-2H3;3-5,7-8,11-13,22H,6,9-10H2,1-2H3
InChIKeySQMVOZYDICOOBY-UHFFFAOYSA-N
XLogP23.34
TPSA436.05 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds34
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002265.53
LogP ≤ 523.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one?
The IUPAC name of 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one (CID 160908863) is 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one.
What is the SMILES notation for 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one?
The canonical SMILES for 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one is CCCCC(=O)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC.CN(C)CCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1.CN1CCN(CCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1.COc1c(OC(=O)c2ccc(C)cc2)cc2oc(-c3ccccc3)cc(=O)c2c1O.O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCCCC3)cc(O)c12.O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCOCC3)cc(O)c12.
What is the InChIKey of 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one?
The InChIKey is SQMVOZYDICOOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O6.C23H26N2O4.C23H25NO4.C22H23NO5.C21H20O6.C20H21NO4/c1-14-8-10-16(11-9-14)24(27)30-20-13-19-21(22(26)23(20)28-2)17(25)12-18(29-19)15-6-4-3-5-7-15;1-24-9-11-25(12-10-24)8-5-13-28-18-14-19(26)23-20(27)16-21(29-22(23)15-18)17-6-3-2-4-7-17;25-19-14-18(27-13-7-12-24-10-5-2-6-11-24)15-22-23(19)20(26)16-21(28-22)17-8-3-1-4-9-17;24-18-13-17(27-10-4-7-23-8-11-26-12-9-23)14-21-22(18)19(25)15-20(28-21)16-5-2-1-3-6-16;1-3-4-10-18(23)27-17-12-16-19(20(24)21(17)25-2)14(22)11-15(26-16)13-8-6-5-7-9-13;1-21(2)9-6-10-24-15-11-16(22)20-17(23)13-18(25-19(20)12-15)14-7-4-3-5-8-14/h3-13,26H,1-2H3;2-4,6-7,14-16,26H,5,8-13H2,1H3;1,3-4,8-9,14-16,25H,2,5-7,10-13H2;1-3,5-6,13-15,24H,4,7-12H2;5-9,11-12,24H,3-4,10H2,1-2H3;3-5,7-8,11-13,22H,6,9-10H2,1-2H3.
What are the key properties of 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one?
7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one has a molecular weight of 2265.53 g/mol, XLogP of 23.34, 34 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propoxy]-5-hydroxy-2-phenylchromen-4-one;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate;(5-hydroxy-6-methoxy-4-oxo-2-phenylchromen-7-yl) pentanoate;5-hydroxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-2-phenylchromen-4-one;5-hydroxy-7-(3-morpholin-4-ylpropoxy)-2-phenylchromen-4-one;5-hydroxy-2-phenyl-7-(3-piperidin-1-ylpropoxy)chromen-4-one is sourced from PubChem (CID 160908863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).