5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile

C30H34N4O3 — CID 59393342

IUPAC5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3ccc(OCCCN4CCOCC4)c(C#N)c3)cc2nc1OC
InChIInChI=1S/C30H34N4O3/c1-4-23-17-24-7-8-26(18-27(24)33-29(23)35-3)30(2,21-32)19-22-6-9-28(25(16-22)20-31)37-13-5-10-34-11-14-36-15-12-34/h6-9,16-18H,4-5,10-15,19H2,1-3H3
InChIKeyZVFHTHRSEQSAHE-UHFFFAOYSA-N
MW498.63 g/mol
LogP4.80
Rot. Bonds10

About 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile

5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile (PubChem CID 59393342) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile.

Molecular Properties

Compound Name5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile
PubChem CID59393342
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3ccc(OCCCN4CCOCC4)c(C#N)c3)cc2nc1OC
InChIInChI=1S/C30H34N4O3/c1-4-23-17-24-7-8-26(18-27(24)33-29(23)35-3)30(2,21-32)19-22-6-9-28(25(16-22)20-31)37-13-5-10-34-11-14-36-15-12-34/h6-9,16-18H,4-5,10-15,19H2,1-3H3
InChIKeyZVFHTHRSEQSAHE-UHFFFAOYSA-N
XLogP4.80
TPSA91.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile
CID 59393275
2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 59392990
3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393114
4-methoxy-2-(methylideneamino)-5-(3-morpholin-4-ylpropoxy)benzonitrile
CID 143013804
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile
CID 145493377
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile
CID 70291438
2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane
CID 164511422

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile?
The IUPAC name of 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile (CID 59393342) is 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile.
What is the SMILES notation for 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile?
The canonical SMILES for 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile is CCc1cc2ccc(C(C)(C#N)Cc3ccc(OCCCN4CCOCC4)c(C#N)c3)cc2nc1OC.
What is the InChIKey of 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile?
The InChIKey is ZVFHTHRSEQSAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-4-23-17-24-7-8-26(18-27(24)33-29(23)35-3)30(2,21-32)19-22-6-9-28(25(16-22)20-31)37-13-5-10-34-11-14-36-15-12-34/h6-9,16-18H,4-5,10-15,19H2,1-3H3.
What are the key properties of 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile?
5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile has a molecular weight of 498.63 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile is sourced from PubChem (CID 59393342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).