4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine

C24H25N7O — CID 42477763

IUPAC4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cc1C
InChIInChI=1S/C24H25N7O/c1-16-5-6-19(14-17(16)2)26-22-28-23(30-24(29-22)31-10-12-32-13-11-31)27-20-7-8-21-18(15-20)4-3-9-25-21/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyCCVWEUOIABSCPM-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.36
Rot. Bonds5

About 4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine

4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine (PubChem CID 42477763) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine
PubChem CID42477763
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cc1C
InChIInChI=1S/C24H25N7O/c1-16-5-6-19(14-17(16)2)26-22-28-23(30-24(29-22)31-10-12-32-13-11-31)27-20-7-8-21-18(15-20)4-3-9-25-21/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyCCVWEUOIABSCPM-UHFFFAOYSA-N
XLogP4.36
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine (CID 42477763) is 4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(Nc3ccc4ncccc4c3)nc(N3CCOCC3)n2)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is CCVWEUOIABSCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-16-5-6-19(14-17(16)2)26-22-28-23(30-24(29-22)31-10-12-32-13-11-31)27-20-7-8-21-18(15-20)4-3-9-25-21/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of 4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine?
4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 427.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-2-N-quinolin-6-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 42477763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).