propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

C33H34N4O5 — CID 136981343

IUPACpropan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2c(/C(=N/c3ccc4c(c3)CCN4C(=O)CN3CCOCC3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C33H34N4O5/c1-21(2)42-33(40)24-8-10-26-27(19-24)35-32(39)30(26)31(22-6-4-3-5-7-22)34-25-9-11-28-23(18-25)12-13-37(28)29(38)20-36-14-16-41-17-15-36/h3-11,18-19,21,35,39H,12-17,20H2,1-2H3/b34-31+
InChIKeyXUACTIPNUUNVBG-WUVHBKSUSA-N
MW566.66 g/mol
LogP4.83
Rot. Bonds7

About propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate (PubChem CID 136981343) has the molecular formula C33H34N4O5 and a molecular weight of 566.66 g/mol. Its IUPAC name is propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
PubChem CID136981343
Molecular FormulaC33H34N4O5
Molecular Weight566.66 g/mol
Exact Mass566.25
IUPAC Namepropan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2c(/C(=N/c3ccc4c(c3)CCN4C(=O)CN3CCOCC3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C33H34N4O5/c1-21(2)42-33(40)24-8-10-26-27(19-24)35-32(39)30(26)31(22-6-4-3-5-7-22)34-25-9-11-28-23(18-25)12-13-37(28)29(38)20-36-14-16-41-17-15-36/h3-11,18-19,21,35,39H,12-17,20H2,1-2H3/b34-31+
InChIKeyXUACTIPNUUNVBG-WUVHBKSUSA-N
XLogP4.83
TPSA107.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The IUPAC name of propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate (CID 136981343) is propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate.
What is the SMILES notation for propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The canonical SMILES for propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate is CC(C)OC(=O)c1ccc2c(/C(=N/c3ccc4c(c3)CCN4C(=O)CN3CCOCC3)c3ccccc3)c(O)[nH]c2c1.
What is the InChIKey of propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The InChIKey is XUACTIPNUUNVBG-WUVHBKSUSA-N. The full InChI is InChI=1S/C33H34N4O5/c1-21(2)42-33(40)24-8-10-26-27(19-24)35-32(39)30(26)31(22-6-4-3-5-7-22)34-25-9-11-28-23(18-25)12-13-37(28)29(38)20-36-14-16-41-17-15-36/h3-11,18-19,21,35,39H,12-17,20H2,1-2H3/b34-31+.
What are the key properties of propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate has a molecular weight of 566.66 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-hydroxy-3-[N-[1-(2-morpholin-4-ylacetyl)-2,3-dihydroindol-5-yl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate is sourced from PubChem (CID 136981343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).