5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one

C23H27ClFN3O2 — CID 66618355

IUPAC5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one
SMILESCOc1cc2c(cc1Cl)C(CCCN1CCN(C)CC1)(c1ccccc1F)C(=O)N2
InChIInChI=1S/C23H27ClFN3O2/c1-27-10-12-28(13-11-27)9-5-8-23(16-6-3-4-7-19(16)25)17-14-18(24)21(30-2)15-20(17)26-22(23)29/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,26,29)
InChIKeyHOHZHUQOSVTKAT-UHFFFAOYSA-N
MW431.94 g/mol
LogP3.75
Rot. Bonds6

About 5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one

5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one (PubChem CID 66618355) has the molecular formula C23H27ClFN3O2 and a molecular weight of 431.94 g/mol. Its IUPAC name is 5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one
PubChem CID66618355
Molecular FormulaC23H27ClFN3O2
Molecular Weight431.94 g/mol
Exact Mass431.18
IUPAC Name5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one
SMILESCOc1cc2c(cc1Cl)C(CCCN1CCN(C)CC1)(c1ccccc1F)C(=O)N2
InChIInChI=1S/C23H27ClFN3O2/c1-27-10-12-28(13-11-27)9-5-8-23(16-6-3-4-7-19(16)25)17-14-18(24)21(30-2)15-20(17)26-22(23)29/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,26,29)
InChIKeyHOHZHUQOSVTKAT-UHFFFAOYSA-N
XLogP3.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one (CID 66618355) is 5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one is COc1cc2c(cc1Cl)C(CCCN1CCN(C)CC1)(c1ccccc1F)C(=O)N2.
What is the InChIKey of 5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one?
The InChIKey is HOHZHUQOSVTKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O2/c1-27-10-12-28(13-11-27)9-5-8-23(16-6-3-4-7-19(16)25)17-14-18(24)21(30-2)15-20(17)26-22(23)29/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,26,29).
What are the key properties of 5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one?
5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one has a molecular weight of 431.94 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-fluorophenyl)-6-methoxy-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-indol-2-one is sourced from PubChem (CID 66618355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).