ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate

C26H30N4O4 — CID 143184497

IUPACethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2C)cc1
InChIInChI=1S/C26H30N4O4/c1-3-33-26(31)28-20-7-5-19(6-8-20)25-23(18-27)22-10-9-21(17-24(22)29(25)2)34-14-4-11-30-12-15-32-16-13-30/h5-10,17H,3-4,11-16H2,1-2H3,(H,28,31)
InChIKeyQVOKRHCFNMUCTL-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.39
Rot. Bonds8

About ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate

ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate (PubChem CID 143184497) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
PubChem CID143184497
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Nameethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2C)cc1
InChIInChI=1S/C26H30N4O4/c1-3-33-26(31)28-20-7-5-19(6-8-20)25-23(18-27)22-10-9-21(17-24(22)29(25)2)34-14-4-11-30-12-15-32-16-13-30/h5-10,17H,3-4,11-16H2,1-2H3,(H,28,31)
InChIKeyQVOKRHCFNMUCTL-UHFFFAOYSA-N
XLogP4.39
TPSA88.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58694260
ethyl N-[3-[3-cyano-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 58693960
2-fluoroethyl N-[4-[3-amino-1-ethyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 88566470
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 59425775
ethyl N-[3-[3-cyano-1-ethyl-6-(3-piperidin-1-ylpropoxy)indol-2-yl]phenyl]carbamate;ethyl N-[3-[3-cyano-1-ethyl-6-(3-thiomorpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate
CID 157212768
ethyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143185175
N-[4-[3-cyano-1-ethyl-6-(2-morpholin-4-ylethoxy)indol-2-yl]phenyl]methanesulfonamide
CID 59426014
propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(fluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58039115
2-fluoroethyl N-[4-[3-cyano-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 59425203
propyl N-[3-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 143183965
ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate
CID 58694483
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate (CID 143184497) is ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate is CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2C)cc1.
What is the InChIKey of ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
The InChIKey is QVOKRHCFNMUCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-3-33-26(31)28-20-7-5-19(6-8-20)25-23(18-27)22-10-9-21(17-24(22)29(25)2)34-14-4-11-30-12-15-32-16-13-30/h5-10,17H,3-4,11-16H2,1-2H3,(H,28,31).
What are the key properties of ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate?
ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate has a molecular weight of 462.55 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[3-cyano-1-methyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 143184497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).