4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine

C24H31N5O — CID 156527286

IUPAC4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
SMILESCNCc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1C
InChIInChI=1S/C24H31N5O/c1-16-19(15-25-4)6-5-7-21(16)17(2)26-24-23-14-20(29-10-12-30-13-11-29)8-9-22(23)18(3)27-28-24/h5-9,14,17,25H,10-13,15H2,1-4H3,(H,26,28)/t17-/m1/s1
InChIKeyNVMBYRYZFRHWHC-QGZVFWFLSA-N
MW405.55 g/mol
LogP3.98
Rot. Bonds6

About 4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine

4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine (PubChem CID 156527286) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
PubChem CID156527286
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine
SMILESCNCc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1C
InChIInChI=1S/C24H31N5O/c1-16-19(15-25-4)6-5-7-21(16)17(2)26-24-23-14-20(29-10-12-30-13-11-29)8-9-22(23)18(3)27-28-24/h5-9,14,17,25H,10-13,15H2,1-4H3,(H,26,28)/t17-/m1/s1
InChIKeyNVMBYRYZFRHWHC-QGZVFWFLSA-N
XLogP3.98
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
The IUPAC name of 4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine (CID 156527286) is 4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
The canonical SMILES for 4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine is CNCc1cccc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1C.
What is the InChIKey of 4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
The InChIKey is NVMBYRYZFRHWHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H31N5O/c1-16-19(15-25-4)6-5-7-21(16)17(2)26-24-23-14-20(29-10-12-30-13-11-29)8-9-22(23)18(3)27-28-24/h5-9,14,17,25H,10-13,15H2,1-4H3,(H,26,28)/t17-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine?
4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine has a molecular weight of 405.55 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-[2-methyl-3-(methylaminomethyl)phenyl]ethyl]-7-morpholin-4-ylphthalazin-1-amine is sourced from PubChem (CID 156527286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).