(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide

C24H32Cl2N4O2 — CID 44533148

IUPAC(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide
SMILESCO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CC(C)N(C)CC1C
InChIInChI=1S/C24H32Cl2N4O2/c1-16-15-30(17(2)14-29(16)3)10-6-9-27-24(31)23(32-4)8-5-7-19-11-18-12-20(25)21(26)13-22(18)28-19/h5,7-8,11-13,16-17,28H,6,9-10,14-15H2,1-4H3,(H,27,31)/b7-5+,23-8-
InChIKeyPCBUCYJGAZFAEG-LOKVINBOSA-N
MW479.45 g/mol
LogP4.55
Rot. Bonds8

About (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide

(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide (PubChem CID 44533148) has the molecular formula C24H32Cl2N4O2 and a molecular weight of 479.45 g/mol. Its IUPAC name is (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide
PubChem CID44533148
Molecular FormulaC24H32Cl2N4O2
Molecular Weight479.45 g/mol
Exact Mass478.19
IUPAC Name(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide
SMILESCO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CC(C)N(C)CC1C
InChIInChI=1S/C24H32Cl2N4O2/c1-16-15-30(17(2)14-29(16)3)10-6-9-27-24(31)23(32-4)8-5-7-19-11-18-12-20(25)21(26)13-22(18)28-19/h5,7-8,11-13,16-17,28H,6,9-10,14-15H2,1-4H3,(H,27,31)/b7-5+,23-8-
InChIKeyPCBUCYJGAZFAEG-LOKVINBOSA-N
XLogP4.55
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide?
The IUPAC name of (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide (CID 44533148) is (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide is CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CC(C)N(C)CC1C.
What is the InChIKey of (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide?
The InChIKey is PCBUCYJGAZFAEG-LOKVINBOSA-N. The full InChI is InChI=1S/C24H32Cl2N4O2/c1-16-15-30(17(2)14-29(16)3)10-6-9-27-24(31)23(32-4)8-5-7-19-11-18-12-20(25)21(26)13-22(18)28-19/h5,7-8,11-13,16-17,28H,6,9-10,14-15H2,1-4H3,(H,27,31)/b7-5+,23-8-.
What are the key properties of (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide?
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide has a molecular weight of 479.45 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-(2,4,5-trimethylpiperazin-1-yl)propyl]penta-2,4-dienamide is sourced from PubChem (CID 44533148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).