1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one

C96H110Cl4F3N15O4 — CID 173093866

About 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one

1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 173093866) has the molecular formula C96H110Cl4F3N15O4 and a molecular weight of 1736.84 g/mol. Its IUPAC name is 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

• Compound Name: 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one
• PubChem CID: 173093866
• Molecular Formula: C96H110Cl4F3N15O4
• Molecular Weight: 1736.84 g/mol
• Exact Mass: 1733.76
• IUPAC Name: 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one
• SMILES: O=C1CCCc2c1ccn2CCCCCN1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1.O=C1CCCc2c1ccn2CCCCN1CCN(c2ccnc3ccc(Cl)cc23)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccnc3ccc(Cl)cc23)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccnc3ccc(Cl)cc23)CC1
• InChI: InChI=1S/C25H29ClN4O.C24H29ClF3N3O.C24H27ClN4O.C23H25ClN4O/c26-19-6-7-22-21(18-19)24(8-10-27-22)30-16-14-28(15-17-30)11-1-2-12-29-13-9-20-23(29)4-3-5-25(20)31;25-21-8-7-18(17-20(21)24(26,27)28)30-15-13-29(14-16-30)10-2-1-3-11-31-12-9-19-22(31)5-4-6-23(19)32;25-18-5-6-21-20(17-18)23(7-9-26-21)29-15-13-27(14-16-29)10-2-11-28-12-8-19-22(28)3-1-4-24(19)30;24-17-4-5-20-19(16-17)22(6-8-25-20)28-14-11-26(12-15-28)10-13-27-9-7-18-21(27)2-1-3-23(18)29/h6-10,13,18H,1-5,11-12,14-17H2;7-9,12,17H,1-6,10-11,13-16H2;5-9,12,17H,1-4,10-11,13-16H2;4-9,16H,1-3,10-15H2
• InChIKey: ROIHUTAEROJRHM-UHFFFAOYSA-N
• XLogP: 18.93
• TPSA: 152.59 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 22
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1736.84
LogP ≤ 5	18.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one?

The IUPAC name of 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one (CID 173093866) is 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one.

What is the SMILES notation for 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one?

The canonical SMILES for 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2CCCCCN1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1.O=C1CCCc2c1ccn2CCCCN1CCN(c2ccnc3ccc(Cl)cc23)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccnc3ccc(Cl)cc23)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccnc3ccc(Cl)cc23)CC1.

What is the InChIKey of 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one?

The InChIKey is ROIHUTAEROJRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O.C24H29ClF3N3O.C24H27ClN4O.C23H25ClN4O/c26-19-6-7-22-21(18-19)24(8-10-27-22)30-16-14-28(15-17-30)11-1-2-12-29-13-9-20-23(29)4-3-5-25(20)31;25-21-8-7-18(17-20(21)24(26,27)28)30-15-13-29(14-16-30)10-2-1-3-11-31-12-9-19-22(31)5-4-6-23(19)32;25-18-5-6-21-20(17-18)23(7-9-26-21)29-15-13-27(14-16-29)10-2-11-28-12-8-19-22(28)3-1-4-24(19)30;24-17-4-5-20-19(16-17)22(6-8-25-20)28-14-11-26(12-15-28)10-13-27-9-7-18-21(27)2-1-3-23(18)29/h6-10,13,18H,1-5,11-12,14-17H2;7-9,12,17H,1-6,10-11,13-16H2;5-9,12,17H,1-4,10-11,13-16H2;4-9,16H,1-3,10-15H2.

What are the key properties of 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one?

1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 1736.84 g/mol, XLogP of 18.93, 22 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(6-chloroquinolin-4-yl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[5-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 173093866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).