1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one

C74H89N13O10 — CID 158621648

About 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one

1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one (PubChem CID 158621648) has the molecular formula C74H89N13O10 and a molecular weight of 1320.61 g/mol. Its IUPAC name is 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one
• PubChem CID: 158621648
• Molecular Formula: C74H89N13O10
• Molecular Weight: 1320.61 g/mol
• Exact Mass: 1319.69
• IUPAC Name: 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one
• SMILES: COc1ccc([C@H](CC(C)=O)N2CCN(C/C=C/c3ccc4c(n3)CCCC4)C2=O)cn1.COc1ccc([C@H](CC(C)=O)N2CCN(C/C=C\c3ccc4c(n3)NCCC4)C2=O)cn1.COc1ccc([C@H](CC(C)=O)N2CCN(CCC(=O)c3ccc4c(n3)CCCC4)C2=O)cn1
• InChI: InChI=1S/C25H30N4O4.C25H30N4O3.C24H29N5O3/c1-17(30)15-22(19-8-10-24(33-2)26-16-19)29-14-13-28(25(29)32)12-11-23(31)21-9-7-18-5-3-4-6-20(18)27-21;1-18(30)16-23(20-10-12-24(32-2)26-17-20)29-15-14-28(25(29)31)13-5-7-21-11-9-19-6-3-4-8-22(19)27-21;1-17(30)15-21(19-8-10-22(32-2)26-16-19)29-14-13-28(24(29)31)12-4-6-20-9-7-18-5-3-11-25-23(18)27-20/h7-10,16,22H,3-6,11-15H2,1-2H3;5,7,9-12,17,23H,3-4,6,8,13-16H2,1-2H3;4,6-10,16,21H,3,5,11-15H2,1-2H3,(H,25,27)/b;7-5+;6-4-/t22-;23-;21-/m000/s1
• InChIKey: HYBNHGKJSYXFJV-SERLIIHLSA-N
• XLogP: 10.54
• TPSA: 255.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1320.61
LogP ≤ 5	10.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one?

The IUPAC name of 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one (CID 158621648) is 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one.

What is the SMILES notation for 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one?

The canonical SMILES for 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one is COc1ccc([C@H](CC(C)=O)N2CCN(C/C=C/c3ccc4c(n3)CCCC4)C2=O)cn1.COc1ccc([C@H](CC(C)=O)N2CCN(C/C=C\c3ccc4c(n3)NCCC4)C2=O)cn1.COc1ccc([C@H](CC(C)=O)N2CCN(CCC(=O)c3ccc4c(n3)CCCC4)C2=O)cn1.

What is the InChIKey of 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one?

The InChIKey is HYBNHGKJSYXFJV-SERLIIHLSA-N. The full InChI is InChI=1S/C25H30N4O4.C25H30N4O3.C24H29N5O3/c1-17(30)15-22(19-8-10-24(33-2)26-16-19)29-14-13-28(25(29)32)12-11-23(31)21-9-7-18-5-3-4-6-20(18)27-21;1-18(30)16-23(20-10-12-24(32-2)26-17-20)29-15-14-28(25(29)31)13-5-7-21-11-9-19-6-3-4-8-22(19)27-21;1-17(30)15-21(19-8-10-22(32-2)26-16-19)29-14-13-28(24(29)31)12-4-6-20-9-7-18-5-3-11-25-23(18)27-20/h7-10,16,22H,3-6,11-15H2,1-2H3;5,7,9-12,17,23H,3-4,6,8,13-16H2,1-2H3;4,6-10,16,21H,3,5,11-15H2,1-2H3,(H,25,27)/b;7-5+;6-4-/t22-;23-;21-/m000/s1.

What are the key properties of 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one?

1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one has a molecular weight of 1320.61 g/mol, XLogP of 10.54, 25 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[3-oxo-3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(Z)-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)prop-2-enyl]imidazolidin-2-one;1-[(1S)-1-(6-methoxy-3-pyridinyl)-3-oxobutyl]-3-[(E)-3-(5,6,7,8-tetrahydroquinolin-2-yl)prop-2-enyl]imidazolidin-2-one is sourced from PubChem (CID 158621648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).