3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride

C23H27ClN4O4 — CID 66636548

IUPAC3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCC(=C1C(=O)Nc2ccc(CN3CCOC3=O)cc21)c1cc(CN2CCOCC2)c[nH]1.Cl
InChIInChI=1S/C23H26N4O4.ClH/c1-15(20-11-17(12-24-20)13-26-4-7-30-8-5-26)21-18-10-16(2-3-19(18)25-22(21)28)14-27-6-9-31-23(27)29;/h2-3,10-12,24H,4-9,13-14H2,1H3,(H,25,28);1H
InChIKeyIAXMHDVSVQAOIV-UHFFFAOYSA-N
MW458.95 g/mol
LogP3.10
Rot. Bonds5

About 3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride

3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 66636548) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is 3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID66636548
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC Name3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCC(=C1C(=O)Nc2ccc(CN3CCOC3=O)cc21)c1cc(CN2CCOCC2)c[nH]1.Cl
InChIInChI=1S/C23H26N4O4.ClH/c1-15(20-11-17(12-24-20)13-26-4-7-30-8-5-26)21-18-10-16(2-3-19(18)25-22(21)28)14-27-6-9-31-23(27)29;/h2-3,10-12,24H,4-9,13-14H2,1H3,(H,25,28);1H
InChIKeyIAXMHDVSVQAOIV-UHFFFAOYSA-N
XLogP3.10
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride (CID 66636548) is 3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride is CC(=C1C(=O)Nc2ccc(CN3CCOC3=O)cc21)c1cc(CN2CCOCC2)c[nH]1.Cl.
What is the InChIKey of 3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is IAXMHDVSVQAOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4.ClH/c1-15(20-11-17(12-24-20)13-26-4-7-30-8-5-26)21-18-10-16(2-3-19(18)25-22(21)28)14-27-6-9-31-23(27)29;/h2-3,10-12,24H,4-9,13-14H2,1H3,(H,25,28);1H.
What are the key properties of 3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride?
3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 458.95 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 66636548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).