1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one

C139H138N12O17 — CID 157406785

About 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one

1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one (PubChem CID 157406785) has the molecular formula C139H138N12O17 and a molecular weight of 2248.70 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one.

Molecular Properties

• Compound Name: 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one
• PubChem CID: 157406785
• Molecular Formula: C139H138N12O17
• Molecular Weight: 2248.70 g/mol
• Exact Mass: 2247.03
• IUPAC Name: 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one
• SMILES: CC(=O)C(OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2CCCc2ccccc2)c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)C(OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2Cc2cnccn2)c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)C(OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2Cc2cncnc2)c1-c1ccc2c3c(ccnc13)CCO2.COc1cccc(Cn2c(=O)ccc3c(-c4ccc5c6c(ccnc46)CCO5)c(C(OC(C)(C)C)C(C)=O)c(C)cc32)c1
• InChI: InChI=1S/C37H38N2O4.C36H36N2O5.2C33H32N4O4/c1-23-22-29-27(14-16-31(41)39(29)20-9-12-25-10-7-6-8-11-25)34(32(23)36(24(2)40)43-37(3,4)5)28-13-15-30-33-26(18-21-42-30)17-19-38-35(28)33;1-21-18-28-26(11-13-30(40)38(28)20-23-8-7-9-25(19-23)41-6)33(31(21)35(22(2)39)43-36(3,4)5)27-10-12-29-32-24(15-17-42-29)14-16-37-34(27)32;1-19-16-25-23(7-9-27(39)37(25)18-22-17-34-13-14-35-22)30(28(19)32(20(2)38)41-33(3,4)5)24-6-8-26-29-21(11-15-40-26)10-12-36-31(24)29;1-19-14-25-23(7-9-27(39)37(25)17-21-15-34-18-35-16-21)30(28(19)32(20(2)38)41-33(3,4)5)24-6-8-26-29-22(11-13-40-26)10-12-36-31(24)29/h6-8,10-11,13-17,19,22,36H,9,12,18,20-21H2,1-5H3;7-14,16,18-19,35H,15,17,20H2,1-6H3;6-10,12-14,16-17,32H,11,15,18H2,1-5H3;6-10,12,14-16,18,32H,11,13,17H2,1-5H3
• InChIKey: BNURQYJIPPDGCF-UHFFFAOYSA-N
• XLogP: 25.99
• TPSA: 342.47 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2248.70
LogP ≤ 5	25.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one?

The IUPAC name of 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one (CID 157406785) is 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one.

What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one?

The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one is CC(=O)C(OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2CCCc2ccccc2)c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)C(OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2Cc2cnccn2)c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)C(OC(C)(C)C)c1c(C)cc2c(ccc(=O)n2Cc2cncnc2)c1-c1ccc2c3c(ccnc13)CCO2.COc1cccc(Cn2c(=O)ccc3c(-c4ccc5c6c(ccnc46)CCO5)c(C(OC(C)(C)C)C(C)=O)c(C)cc32)c1.

What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one?

The InChIKey is BNURQYJIPPDGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2O4.C36H36N2O5.2C33H32N4O4/c1-23-22-29-27(14-16-31(41)39(29)20-9-12-25-10-7-6-8-11-25)34(32(23)36(24(2)40)43-37(3,4)5)28-13-15-30-33-26(18-21-42-30)17-19-38-35(28)33;1-21-18-28-26(11-13-30(40)38(28)20-23-8-7-9-25(19-23)41-6)33(31(21)35(22(2)39)43-36(3,4)5)27-10-12-29-32-24(15-17-42-29)14-16-37-34(27)32;1-19-16-25-23(7-9-27(39)37(25)18-22-17-34-13-14-35-22)30(28(19)32(20(2)38)41-33(3,4)5)24-6-8-26-29-21(11-15-40-26)10-12-36-31(24)29;1-19-14-25-23(7-9-27(39)37(25)17-21-15-34-18-35-16-21)30(28(19)32(20(2)38)41-33(3,4)5)24-6-8-26-29-22(11-13-40-26)10-12-36-31(24)29/h6-8,10-11,13-17,19,22,36H,9,12,18,20-21H2,1-5H3;7-14,16,18-19,35H,15,17,20H2,1-6H3;6-10,12-14,16-17,32H,11,15,18H2,1-5H3;6-10,12,14-16,18,32H,11,13,17H2,1-5H3.

What are the key properties of 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one?

1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one has a molecular weight of 2248.70 g/mol, XLogP of 25.99, 27 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-methoxyphenyl)methyl]-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one is sourced from PubChem (CID 157406785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).