3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol

C22H26N4O2 — CID 170011907

IUPAC3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol
SMILESCc1cc(O)cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1
InChIInChI=1S/C22H26N4O2/c1-14-10-17(12-19(27)11-14)15(2)23-22-21-13-18(26-6-8-28-9-7-26)4-5-20(21)16(3)24-25-22/h4-5,10-13,15,27H,6-9H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyQKUAPNOYHFVVGL-OAHLLOKOSA-N
MW378.48 g/mol
LogP3.96
Rot. Bonds4

About 3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol

3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol (PubChem CID 170011907) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol
PubChem CID170011907
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol
SMILESCc1cc(O)cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1
InChIInChI=1S/C22H26N4O2/c1-14-10-17(12-19(27)11-14)15(2)23-22-21-13-18(26-6-8-28-9-7-26)4-5-20(21)16(3)24-25-22/h4-5,10-13,15,27H,6-9H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyQKUAPNOYHFVVGL-OAHLLOKOSA-N
XLogP3.96
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol?
The IUPAC name of 3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol (CID 170011907) is 3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol.
What is the SMILES notation for 3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol?
The canonical SMILES for 3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol is Cc1cc(O)cc([C@@H](C)Nc2nnc(C)c3ccc(N4CCOCC4)cc23)c1.
What is the InChIKey of 3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol?
The InChIKey is QKUAPNOYHFVVGL-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14-10-17(12-19(27)11-14)15(2)23-22-21-13-18(26-6-8-28-9-7-26)4-5-20(21)16(3)24-25-22/h4-5,10-13,15,27H,6-9H2,1-3H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol?
3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol has a molecular weight of 378.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R)-1-[(4-methyl-7-morpholin-4-ylphthalazin-1-yl)amino]ethyl]phenol is sourced from PubChem (CID 170011907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).