3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide

C26H24N4O2 — CID 166214351

IUPAC3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(C3CCN(C(=O)/C=C/c4cccc5cccnc45)CC3)c2c1
InChIInChI=1S/C26H24N4O2/c27-26(32)20-6-8-23-21(15-20)22(16-29-23)17-10-13-30(14-11-17)24(31)9-7-19-4-1-3-18-5-2-12-28-25(18)19/h1-9,12,15-17,29H,10-11,13-14H2,(H2,27,32)/b9-7+
InChIKeyXGYGVOQFPCUQBO-VQHVLOKHSA-N
MW424.50 g/mol
LogP4.23
Rot. Bonds4

About 3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide

3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide (PubChem CID 166214351) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide
PubChem CID166214351
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(C3CCN(C(=O)/C=C/c4cccc5cccnc45)CC3)c2c1
InChIInChI=1S/C26H24N4O2/c27-26(32)20-6-8-23-21(15-20)22(16-29-23)17-10-13-30(14-11-17)24(31)9-7-19-4-1-3-18-5-2-12-28-25(18)19/h1-9,12,15-17,29H,10-11,13-14H2,(H2,27,32)/b9-7+
InChIKeyXGYGVOQFPCUQBO-VQHVLOKHSA-N
XLogP4.23
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide (CID 166214351) is 3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]cc(C3CCN(C(=O)/C=C/c4cccc5cccnc45)CC3)c2c1.
What is the InChIKey of 3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
The InChIKey is XGYGVOQFPCUQBO-VQHVLOKHSA-N. The full InChI is InChI=1S/C26H24N4O2/c27-26(32)20-6-8-23-21(15-20)22(16-29-23)17-10-13-30(14-11-17)24(31)9-7-19-4-1-3-18-5-2-12-28-25(18)19/h1-9,12,15-17,29H,10-11,13-14H2,(H2,27,32)/b9-7+.
What are the key properties of 3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide?
3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(E)-3-quinolin-8-ylprop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 166214351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).