6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine

C22H20N6O — CID 135234380

IUPAC6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2ccc3ncc(N4CCOCC4)cc3c2)c(-c2ccccc2)n1
InChIInChI=1S/C22H20N6O/c23-22-25-20(15-4-2-1-3-5-15)21(26-27-22)16-6-7-19-17(12-16)13-18(14-24-19)28-8-10-29-11-9-28/h1-7,12-14H,8-11H2,(H2,23,25,27)
InChIKeyDIPXPUDTRSSCMQ-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.17
Rot. Bonds3

About 6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine

6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 135234380) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID135234380
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2ccc3ncc(N4CCOCC4)cc3c2)c(-c2ccccc2)n1
InChIInChI=1S/C22H20N6O/c23-22-25-20(15-4-2-1-3-5-15)21(26-27-22)16-6-7-19-17(12-16)13-18(14-24-19)28-8-10-29-11-9-28/h1-7,12-14H,8-11H2,(H2,23,25,27)
InChIKeyDIPXPUDTRSSCMQ-UHFFFAOYSA-N
XLogP3.17
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine (CID 135234380) is 6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(-c2ccc3ncc(N4CCOCC4)cc3c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is DIPXPUDTRSSCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c23-22-25-20(15-4-2-1-3-5-15)21(26-27-22)16-6-7-19-17(12-16)13-18(14-24-19)28-8-10-29-11-9-28/h1-7,12-14H,8-11H2,(H2,23,25,27).
What are the key properties of 6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 384.44 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).