6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine

C23H22N6O — CID 135234318

IUPAC6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2ccc3nccc(CN4CCOCC4)c3c2)c(-c2ccccc2)n1
InChIInChI=1S/C23H22N6O/c24-23-26-21(16-4-2-1-3-5-16)22(27-28-23)17-6-7-20-19(14-17)18(8-9-25-20)15-29-10-12-30-13-11-29/h1-9,14H,10-13,15H2,(H2,24,26,28)
InChIKeyJJMOFLSUCGCSJY-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.17
Rot. Bonds4

About 6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine

6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 135234318) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine
PubChem CID135234318
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine
SMILESNc1nnc(-c2ccc3nccc(CN4CCOCC4)c3c2)c(-c2ccccc2)n1
InChIInChI=1S/C23H22N6O/c24-23-26-21(16-4-2-1-3-5-16)22(27-28-23)17-6-7-20-19(14-17)18(8-9-25-20)15-29-10-12-30-13-11-29/h1-9,14H,10-13,15H2,(H2,24,26,28)
InChIKeyJJMOFLSUCGCSJY-UHFFFAOYSA-N
XLogP3.17
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
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-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine (CID 135234318) is 6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine is Nc1nnc(-c2ccc3nccc(CN4CCOCC4)c3c2)c(-c2ccccc2)n1.
What is the InChIKey of 6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is JJMOFLSUCGCSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-23-26-21(16-4-2-1-3-5-16)22(27-28-23)17-6-7-20-19(14-17)18(8-9-25-20)15-29-10-12-30-13-11-29/h1-9,14H,10-13,15H2,(H2,24,26,28).
What are the key properties of 6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine?
6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 398.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(morpholin-4-ylmethyl)quinolin-6-yl]-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).