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

C20H21N3O — CID 3241706

IUPAC1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine
SMILESCn1/c(=N/c2ccc(N3CCOCC3)cc2)ccc2ccccc21
InChIInChI=1S/C20H21N3O/c1-22-19-5-3-2-4-16(19)6-11-20(22)21-17-7-9-18(10-8-17)23-12-14-24-15-13-23/h2-11H,12-15H2,1H3/b21-20+
InChIKeyQMQBIGNXUXRHPE-QZQOTICOSA-N
MW319.41 g/mol
LogP3.25
Rot. Bonds2

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

1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine (PubChem CID 3241706) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine.

Molecular Properties

Compound Name1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine
PubChem CID3241706
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine
SMILESCn1/c(=N/c2ccc(N3CCOCC3)cc2)ccc2ccccc21
InChIInChI=1S/C20H21N3O/c1-22-19-5-3-2-4-16(19)6-11-20(22)21-17-7-9-18(10-8-17)23-12-14-24-15-13-23/h2-11H,12-15H2,1H3/b21-20+
InChIKeyQMQBIGNXUXRHPE-QZQOTICOSA-N
XLogP3.25
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.25
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-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine?
The IUPAC name of 1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine (CID 3241706) is 1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine.
What is the SMILES notation for 1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine?
The canonical SMILES for 1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine is Cn1/c(=N/c2ccc(N3CCOCC3)cc2)ccc2ccccc21.
What is the InChIKey of 1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine?
The InChIKey is QMQBIGNXUXRHPE-QZQOTICOSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22-19-5-3-2-4-16(19)6-11-20(22)21-17-7-9-18(10-8-17)23-12-14-24-15-13-23/h2-11H,12-15H2,1H3/b21-20+.
What are the key properties of 1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine?
1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine has a molecular weight of 319.41 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-morpholin-4-ylphenyl)quinolin-2-imine is sourced from PubChem (CID 3241706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).