1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one

C186H243N19O15 — CID 158401384

About 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one

1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one (PubChem CID 158401384) has the molecular formula C186H243N19O15 and a molecular weight of 2985.11 g/mol. Its IUPAC name is 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one.

Molecular Properties

• Compound Name: 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one
• PubChem CID: 158401384
• Molecular Formula: C186H243N19O15
• Molecular Weight: 2985.11 g/mol
• Exact Mass: 2982.88
• IUPAC Name: 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one
• SMILES: CC(=O)C(C)N1CC(C(=O)CCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)C(C)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1)N1CC(C(=O)CCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)C(c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1)N1CC(C(=O)N2CCC(c3ccc4c(c3)NCCC4)CC2)C1.CC(=O)C(c1ccccc1OC(C)C)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
• InChI: InChI=1S/C31H41N3O3.2C28H35N3O2.C27H33N3O2.C27H34N2O2.C23H33N3O2.C22H32N2O2/c1-21(2)37-29-11-7-5-9-27(29)30(22(3)35)34-19-25(20-34)31(36)33-16-14-23(15-17-33)18-26-13-12-24-8-4-6-10-28(24)32-26;2*1-20(32)27(23-8-3-2-4-9-23)31-18-24(19-31)28(33)30-15-13-21(14-16-30)17-25-12-11-22-7-5-6-10-26(22)29-25;1-19(31)26(22-6-3-2-4-7-22)30-17-24(18-30)27(32)29-14-11-20(12-15-29)23-10-9-21-8-5-13-28-25(21)16-23;1-20(30)27(22-11-4-2-5-12-22)29-18-23(19-29)26(31)15-7-3-6-13-24-17-16-21-10-8-9-14-25(21)28-24;1-16(17(2)27)26-14-20(15-26)23(28)25-11-9-18(10-12-25)13-21-8-7-19-5-3-4-6-22(19)24-21;1-16(17(2)25)24-14-19(15-24)22(26)11-5-3-4-9-20-13-12-18-8-6-7-10-21(18)23-20/h5,7,9,11-13,21,23,25,30H,4,6,8,10,14-20H2,1-3H3;2*2-4,8-9,11-12,21,24,27H,5-7,10,13-19H2,1H3;2-4,6-7,9-10,16,20,24,26,28H,5,8,11-15,17-18H2,1H3;2,4-5,11-12,16-17,23,27H,3,6-10,13-15,18-19H2,1H3;7-8,16,18,20H,3-6,9-15H2,1-2H3;12-13,16,19H,3-11,14-15H2,1-2H3
• InChIKey: GYDJARLKHJBGMV-UHFFFAOYSA-N
• XLogP: 27.90
• TPSA: 376.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 49
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2985.11
LogP ≤ 5	27.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one?

The IUPAC name of 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one (CID 158401384) is 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one.

What is the SMILES notation for 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one?

The canonical SMILES for 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one is CC(=O)C(C)N1CC(C(=O)CCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)C(C)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1)N1CC(C(=O)CCCCCc2ccc3c(n2)CCCC3)C1.CC(=O)C(c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.CC(=O)C(c1ccccc1)N1CC(C(=O)N2CCC(c3ccc4c(c3)NCCC4)CC2)C1.CC(=O)C(c1ccccc1OC(C)C)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.

What is the InChIKey of 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one?

The InChIKey is GYDJARLKHJBGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O3.2C28H35N3O2.C27H33N3O2.C27H34N2O2.C23H33N3O2.C22H32N2O2/c1-21(2)37-29-11-7-5-9-27(29)30(22(3)35)34-19-25(20-34)31(36)33-16-14-23(15-17-33)18-26-13-12-24-8-4-6-10-28(24)32-26;2*1-20(32)27(23-8-3-2-4-9-23)31-18-24(19-31)28(33)30-15-13-21(14-16-30)17-25-12-11-22-7-5-6-10-26(22)29-25;1-19(31)26(22-6-3-2-4-7-22)30-17-24(18-30)27(32)29-14-11-20(12-15-29)23-10-9-21-8-5-13-28-25(21)16-23;1-20(30)27(22-11-4-2-5-12-22)29-18-23(19-29)26(31)15-7-3-6-13-24-17-16-21-10-8-9-14-25(21)28-24;1-16(17(2)27)26-14-20(15-26)23(28)25-11-9-18(10-12-25)13-21-8-7-19-5-3-4-6-22(19)24-21;1-16(17(2)25)24-14-19(15-24)22(26)11-5-3-4-9-20-13-12-18-8-6-7-10-21(18)23-20/h5,7,9,11-13,21,23,25,30H,4,6,8,10,14-20H2,1-3H3;2*2-4,8-9,11-12,21,24,27H,5-7,10,13-19H2,1H3;2-4,6-7,9-10,16,20,24,26,28H,5,8,11-15,17-18H2,1H3;2,4-5,11-12,16-17,23,27H,3,6-10,13-15,18-19H2,1H3;7-8,16,18,20H,3-6,9-15H2,1-2H3;12-13,16,19H,3-11,14-15H2,1-2H3.

What are the key properties of 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one?

1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one has a molecular weight of 2985.11 g/mol, XLogP of 27.90, 49 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-oxobutan-2-yl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;1-[1-(2-oxo-1-phenylpropyl)azetidin-3-yl]-6-(5,6,7,8-tetrahydroquinolin-2-yl)hexan-1-one;bis(1-phenyl-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one);1-phenyl-1-[3-[4-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;1-(2-propan-2-yloxyphenyl)-1-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]propan-2-one;3-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]butan-2-one is sourced from PubChem (CID 158401384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).