2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline

C161H140N12O19 — CID 160863983

About 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline

2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline (PubChem CID 160863983) has the molecular formula C161H140N12O19 and a molecular weight of 2546.96 g/mol. Its IUPAC name is 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
• PubChem CID: 160863983
• Molecular Formula: C161H140N12O19
• Molecular Weight: 2546.96 g/mol
• Exact Mass: 2545.04
• IUPAC Name: 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline
• SMILES: CC(=O)C(C)Oc1ccccc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)CCC1(C)CC(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1.CC(=O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.O=C(O)Cc1ccccc1/C=C/c1ccc(COc2ccc3ccccc3n2)cc1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(CC2=NN=NC2)c1.c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2ncn[nH]2)c1
• InChI: InChI=1S/C31H29NO5.C27H25NO4.2C26H22N4O2.C26H21NO3.C25H21NO3/c1-21(33)14-15-31(2)18-29(34)27-13-12-26(17-30(27)37-31)35-19-22-6-5-8-25(16-22)36-20-24-11-10-23-7-3-4-9-28(23)32-24;1-19(29)20(2)32-27-10-6-5-9-26(27)31-17-21-11-15-24(16-12-21)30-18-23-14-13-22-7-3-4-8-25(22)28-23;1-2-10-25-21(7-1)11-12-22(29-25)17-32-24-9-4-8-23(15-24)31-16-20-6-3-5-19(13-20)14-26-27-18-28-30-26;1-2-7-26-21(6-1)8-9-22(28-26)18-32-25-12-10-24(11-13-25)31-17-20-5-3-4-19(14-20)15-23-16-27-30-29-23;28-26(29)17-23-7-2-1-5-21(23)14-13-19-9-11-20(12-10-19)18-30-25-16-15-22-6-3-4-8-24(22)27-25;1-18(27)21-8-4-6-19(14-21)16-28-23-9-5-10-24(15-23)29-17-22-13-12-20-7-2-3-11-25(20)26-22/h3-13,16-17H,14-15,18-20H2,1-2H3;3-16,20H,17-18H2,1-2H3;1-13,15,18H,14,16-17H2,(H,27,28,30);1-14H,15-18H2;1-16H,17-18H2,(H,28,29);2-15H,16-17H2,1H3/b;;;;14-13+
• InChIKey: SKVZNNPLODBUQQ-MLNYGLHVSA-N
• XLogP: 34.30
• TPSA: 381.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 48
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2546.96
LogP ≤ 5	34.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

The IUPAC name of 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline (CID 160863983) is 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline.

What is the SMILES notation for 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

The canonical SMILES for 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline is CC(=O)C(C)Oc1ccccc1OCc1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)CCC1(C)CC(=O)c2ccc(OCc3cccc(OCc4ccc5ccccc5n4)c3)cc2O1.CC(=O)c1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1.O=C(O)Cc1ccccc1/C=C/c1ccc(COc2ccc3ccccc3n2)cc1.c1cc(COc2ccc(OCc3ccc4ccccc4n3)cc2)cc(CC2=NN=NC2)c1.c1cc(COc2cccc(OCc3ccc4ccccc4n3)c2)cc(Cc2ncn[nH]2)c1.

What is the InChIKey of 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

The InChIKey is SKVZNNPLODBUQQ-MLNYGLHVSA-N. The full InChI is InChI=1S/C31H29NO5.C27H25NO4.2C26H22N4O2.C26H21NO3.C25H21NO3/c1-21(33)14-15-31(2)18-29(34)27-13-12-26(17-30(27)37-31)35-19-22-6-5-8-25(16-22)36-20-24-11-10-23-7-3-4-9-28(23)32-24;1-19(29)20(2)32-27-10-6-5-9-26(27)31-17-21-11-15-24(16-12-21)30-18-23-14-13-22-7-3-4-8-25(22)28-23;1-2-10-25-21(7-1)11-12-22(29-25)17-32-24-9-4-8-23(15-24)31-16-20-6-3-5-19(13-20)14-26-27-18-28-30-26;1-2-7-26-21(6-1)8-9-22(28-26)18-32-25-12-10-24(11-13-25)31-17-20-5-3-4-19(14-20)15-23-16-27-30-29-23;28-26(29)17-23-7-2-1-5-21(23)14-13-19-9-11-20(12-10-19)18-30-25-16-15-22-6-3-4-8-24(22)27-25;1-18(27)21-8-4-6-19(14-21)16-28-23-9-5-10-24(15-23)29-17-22-13-12-20-7-2-3-11-25(20)26-22/h3-13,16-17H,14-15,18-20H2,1-2H3;3-16,20H,17-18H2,1-2H3;1-13,15,18H,14,16-17H2,(H,27,28,30);1-14H,15-18H2;1-16H,17-18H2,(H,28,29);2-15H,16-17H2,1H3/b;;;;14-13+;.

What are the key properties of 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline?

2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline has a molecular weight of 2546.96 g/mol, XLogP of 34.30, 48 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-(3-oxobutyl)-7-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]-3H-chromen-4-one;1-[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethanone;3-[2-[[4-(quinolin-2-ylmethoxy)phenyl]methoxy]phenoxy]butan-2-one;2-[2-[(E)-2-[4-(quinolin-2-yloxymethyl)phenyl]ethenyl]phenyl]acetic acid;2-[[3-[[3-(1H-1,2,4-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline;2-[[4-[[3-(4H-triazol-5-ylmethyl)phenyl]methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 160863983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).