10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one

C119H141N19O7 — CID 159643590

About 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one

10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one (PubChem CID 159643590) has the molecular formula C119H141N19O7 and a molecular weight of 1949.56 g/mol. Its IUPAC name is 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one.

Molecular Properties

• Compound Name: 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one
• PubChem CID: 159643590
• Molecular Formula: C119H141N19O7
• Molecular Weight: 1949.56 g/mol
• Exact Mass: 1948.13
• IUPAC Name: 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one
• SMILES: O=C1c2cccc3[nH]cc(c23)CCN1CC12CCN(CC1)CC2.O=C1c2cccc3c2c(cn3Cc2ccc(CO)cc2)CCN1CC12CCN(CC1)CC2.O=C1c2cccc3cnn(c23)CCN1CC12CCN(CC1)CC2.O=C1c2cccc3n[nH]c(c23)CCN1CC1CC2CCC1CC2.O=C1c2cccc3n[nH]c(c23)CN1CC12CCC(CC1)CC2.O=C1c2cccc3n[nH]c(c23)CN1CC1CC2CCC1CC2
• InChI: InChI=1S/C27H31N3O2.2C19H23N3O.C18H22N4O.2C18H21N3O/c31-18-21-6-4-20(5-7-21)16-30-17-22-8-12-29(19-27-9-13-28(14-10-27)15-11-27)26(32)23-2-1-3-24(30)25(22)23;23-18-15-2-1-3-16-17(15)14(12-20-16)4-8-22(18)13-19-5-9-21(10-6-19)11-7-19;23-19-15-2-1-3-16-18(15)17(21-20-16)8-9-22(19)11-14-10-12-4-6-13(14)7-5-12;23-17-15-3-1-2-14-12-19-22(16(14)15)11-10-21(17)13-18-4-7-20(8-5-18)9-6-18;22-17-13-2-1-3-14-16(13)15(20-19-14)10-21(17)11-18-7-4-12(5-8-18)6-9-18;22-18-14-2-1-3-15-17(14)16(20-19-15)10-21(18)9-13-8-11-4-6-12(13)7-5-11/h1-7,17,31H,8-16,18-19H2;1-3,12,20H,4-11,13H2;1-3,12-14H,4-11H2,(H,20,21);1-3,12H,4-11,13H2;1-3,12H,4-11H2,(H,19,20);1-3,11-13H,4-10H2,(H,19,20)
• InChIKey: MQRDQZXUSMNYDN-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 276.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1949.56
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one?

The IUPAC name of 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one (CID 159643590) is 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one.

What is the SMILES notation for 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one?

The canonical SMILES for 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one is O=C1c2cccc3[nH]cc(c23)CCN1CC12CCN(CC1)CC2.O=C1c2cccc3c2c(cn3Cc2ccc(CO)cc2)CCN1CC12CCN(CC1)CC2.O=C1c2cccc3cnn(c23)CCN1CC12CCN(CC1)CC2.O=C1c2cccc3n[nH]c(c23)CCN1CC1CC2CCC1CC2.O=C1c2cccc3n[nH]c(c23)CN1CC12CCC(CC1)CC2.O=C1c2cccc3n[nH]c(c23)CN1CC1CC2CCC1CC2.

What is the InChIKey of 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one?

The InChIKey is MQRDQZXUSMNYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2.2C19H23N3O.C18H22N4O.2C18H21N3O/c31-18-21-6-4-20(5-7-21)16-30-17-22-8-12-29(19-27-9-13-28(14-10-27)15-11-27)26(32)23-2-1-3-24(30)25(22)23;23-18-15-2-1-3-16-17(15)14(12-20-16)4-8-22(18)13-19-5-9-21(10-6-19)11-7-19;23-19-15-2-1-3-16-18(15)17(21-20-16)8-9-22(19)11-14-10-12-4-6-13(14)7-5-12;23-17-15-3-1-2-14-12-19-22(16(14)15)11-10-21(17)13-18-4-7-20(8-5-18)9-6-18;22-17-13-2-1-3-14-16(13)15(20-19-14)10-21(17)11-18-7-4-12(5-8-18)6-9-18;22-18-14-2-1-3-15-17(14)16(20-19-15)10-21(18)9-13-8-11-4-6-12(13)7-5-11/h1-7,17,31H,8-16,18-19H2;1-3,12,20H,4-11,13H2;1-3,12-14H,4-11H2,(H,20,21);1-3,12H,4-11,13H2;1-3,12H,4-11H2,(H,19,20);1-3,11-13H,4-10H2,(H,19,20).

What are the key properties of 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one?

10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one has a molecular weight of 1949.56 g/mol, XLogP of 18.52, 15 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-3-[[4-(hydroxymethyl)phenyl]methyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;10-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-1,2,10-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one;6-(1-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;6-(2-bicyclo[2.2.2]octanylmethyl)-2,3,6-triazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraen-7-one;10-(2-bicyclo[2.2.2]octanylmethyl)-2,3,10-triazatricyclo[6.4.1.04,13]trideca-1(13),3,5,7-tetraen-9-one is sourced from PubChem (CID 159643590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).