1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile

C55H62N8O7 — CID 123360426

IUPAC1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile
SMILESCCn1c(-c2cccc(N3CCCC3=O)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2cccc(N3CCOC3=O)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21
InChIInChI=1S/C28H32N4O3.C27H30N4O4/c1-2-31-26-19-23(35-15-5-11-30-13-16-34-17-14-30)9-10-24(26)25(20-29)28(31)21-6-3-7-22(18-21)32-12-4-8-27(32)33;1-2-30-25-18-22(34-13-4-9-29-10-14-33-15-11-29)7-8-23(25)24(19-28)26(30)20-5-3-6-21(17-20)31-12-16-35-27(31)32/h3,6-7,9-10,18-19H,2,4-5,8,11-17H2,1H3;3,5-8,17-18H,2,4,9-16H2,1H3
InChIKeyOIMPOGKRMUQWJA-UHFFFAOYSA-N
MW947.15 g/mol
LogP8.69
Rot. Bonds16

About 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile

1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile (PubChem CID 123360426) has the molecular formula C55H62N8O7 and a molecular weight of 947.15 g/mol. Its IUPAC name is 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile
PubChem CID123360426
Molecular FormulaC55H62N8O7
Molecular Weight947.15 g/mol
Exact Mass946.47
IUPAC Name1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile
SMILESCCn1c(-c2cccc(N3CCCC3=O)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2cccc(N3CCOC3=O)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21
InChIInChI=1S/C28H32N4O3.C27H30N4O4/c1-2-31-26-19-23(35-15-5-11-30-13-16-34-17-14-30)9-10-24(26)25(20-29)28(31)21-6-3-7-22(18-21)32-12-4-8-27(32)33;1-2-30-25-18-22(34-13-4-9-29-10-14-33-15-11-29)7-8-23(25)24(19-28)26(30)20-5-3-6-21(17-20)31-12-16-35-27(31)32/h3,6-7,9-10,18-19H,2,4-5,8,11-17H2,1H3;3,5-8,17-18H,2,4,9-16H2,1H3
InChIKeyOIMPOGKRMUQWJA-UHFFFAOYSA-N
XLogP8.69
TPSA150.69 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500947.15
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile with MolForge

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Related Compounds

1-Ethyl-2-[4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
CID 58694086
1-Ethyl-2-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
CID 58694499
2-(3-Aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-(4-aminophenyl)-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;2-[4-(dimethylamino)phenyl]-1-ethyl-6-(trifluoromethyl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]indole-3-carbonitrile
CID 157115071
2-[4-[[(E)-1-cyanoprop-1-en-2-yl]amino]phenyl]-1-ethyl-6-methoxyindole-3-carbonitrile;propan-2-yl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;prop-2-enyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propyl N-[4-[3-cyano-1-ethyl-6-(trifluoromethyl)indol-2-yl]phenyl]carbamate
CID 160619848
propyl N-[3-[3-cyano-1-ethyl-6-(3-morpholinopropoxy)indol-2-yl]phenyl]carbamate
CID 49772033
butyl N-[3-[3-cyano-1-ethyl-6-(3-morpholinopropoxy)indol-2-yl]phenyl]carbamate
CID 49772058
1-Ethyl-6-(3-morpholinopropoxy)-2-[3-(2-oxooxazolidin-3-yl)phenyl]indole-3-carbonitrile
CID 49772087
1-Ethyl-2-[4-(2-oxooxazolidin-3-yl)phenyl]-6-(3-pyrrolidin-1-ylpropoxy)indole-3-carbonitrile
CID 49772124
1-Ethyl-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-6-propan-2-yloxyindole-3-carbonitrile
CID 58039103
1-Ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile
CID 58069339
ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58693960
ethyl N-[3-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]carbamate
CID 58693968

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile?
The IUPAC name of 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile (CID 123360426) is 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile is CCn1c(-c2cccc(N3CCCC3=O)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.CCn1c(-c2cccc(N3CCOC3=O)c2)c(C#N)c2ccc(OCCCN3CCOCC3)cc21.
What is the InChIKey of 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile?
The InChIKey is OIMPOGKRMUQWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3.C27H30N4O4/c1-2-31-26-19-23(35-15-5-11-30-13-16-34-17-14-30)9-10-24(26)25(20-29)28(31)21-6-3-7-22(18-21)32-12-4-8-27(32)33;1-2-30-25-18-22(34-13-4-9-29-10-14-33-15-11-29)7-8-23(25)24(19-28)26(30)20-5-3-6-21(17-20)31-12-16-35-27(31)32/h3,6-7,9-10,18-19H,2,4-5,8,11-17H2,1H3;3,5-8,17-18H,2,4,9-16H2,1H3.
What are the key properties of 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile?
1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile has a molecular weight of 947.15 g/mol, XLogP of 8.69, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-(3-morpholin-4-ylpropoxy)-2-[3-(2-oxopyrrolidin-1-yl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 123360426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).