1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine

C21H23N3O — CID 652708

IUPAC1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine
SMILESCCn1/c(=N/c2ccc(N3CCOCC3)cc2)ccc2ccccc21
InChIInChI=1S/C21H23N3O/c1-2-24-20-6-4-3-5-17(20)7-12-21(24)22-18-8-10-19(11-9-18)23-13-15-25-16-14-23/h3-12H,2,13-16H2,1H3/b22-21+
InChIKeyIVJWBCSSICFRKG-QURGRASLSA-N
MW333.44 g/mol
LogP3.73
Rot. Bonds3

About 1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine

1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine (PubChem CID 652708) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine.

Molecular Properties

Compound Name1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine
PubChem CID652708
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine
SMILESCCn1/c(=N/c2ccc(N3CCOCC3)cc2)ccc2ccccc21
InChIInChI=1S/C21H23N3O/c1-2-24-20-6-4-3-5-17(20)7-12-21(24)22-18-8-10-19(11-9-18)23-13-15-25-16-14-23/h3-12H,2,13-16H2,1H3/b22-21+
InChIKeyIVJWBCSSICFRKG-QURGRASLSA-N
XLogP3.73
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine?
The IUPAC name of 1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine (CID 652708) is 1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine.
What is the SMILES notation for 1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine?
The canonical SMILES for 1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine is CCn1/c(=N/c2ccc(N3CCOCC3)cc2)ccc2ccccc21.
What is the InChIKey of 1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine?
The InChIKey is IVJWBCSSICFRKG-QURGRASLSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-24-20-6-4-3-5-17(20)7-12-21(24)22-18-8-10-19(11-9-18)23-13-15-25-16-14-23/h3-12H,2,13-16H2,1H3/b22-21+.
What are the key properties of 1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine?
1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine has a molecular weight of 333.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine is sourced from PubChem (CID 652708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).