4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one

C19H19ClN4O2 — CID 58447220

IUPAC4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cl)c2cc(NCc3ccccc3N3CCOCC3)ccc12
InChIInChI=1S/C19H19ClN4O2/c20-18-16-11-14(5-6-15(16)19(25)23-22-18)21-12-13-3-1-2-4-17(13)24-7-9-26-10-8-24/h1-6,11,21H,7-10,12H2,(H,23,25)
InChIKeyIZKZKUJHRIXGLX-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.03
Rot. Bonds4

About 4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one

4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one (PubChem CID 58447220) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one
PubChem CID58447220
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cl)c2cc(NCc3ccccc3N3CCOCC3)ccc12
InChIInChI=1S/C19H19ClN4O2/c20-18-16-11-14(5-6-15(16)19(25)23-22-18)21-12-13-3-1-2-4-17(13)24-7-9-26-10-8-24/h1-6,11,21H,7-10,12H2,(H,23,25)
InChIKeyIZKZKUJHRIXGLX-UHFFFAOYSA-N
XLogP3.03
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[[2-(1,4-diazepan-1-yl)phenyl]methylamino]-2H-phthalazin-1-one
CID 59743147
4-chloro-6-[[2-chloro-3-(trifluoromethyl)phenyl]methylamino]-2H-phthalazin-1-one
CID 67416695
4-chloro-6-[(5-methyl-2-phenylfuran-3-yl)methylamino]-2H-phthalazin-1-one
CID 24948726
4-chloro-6-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylamino]-2H-phthalazin-1-one
CID 24946160
2-chloro-4-[(2-morpholin-4-ylphenyl)methylamino]benzonitrile
CID 133299332
3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline
CID 18778325
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906
3-(1-methylimidazol-2-yl)-N-[(2-morpholin-4-ylphenyl)methyl]aniline
CID 71913498
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-4-amine
CID 133439763
2,4-dichloro-3-methyl-6-[(2-morpholin-4-ylphenyl)methylamino]phenol
CID 87654793

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one?
The IUPAC name of 4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one (CID 58447220) is 4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one.
What is the SMILES notation for 4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one?
The canonical SMILES for 4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one is O=c1[nH]nc(Cl)c2cc(NCc3ccccc3N3CCOCC3)ccc12.
What is the InChIKey of 4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one?
The InChIKey is IZKZKUJHRIXGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-18-16-11-14(5-6-15(16)19(25)23-22-18)21-12-13-3-1-2-4-17(13)24-7-9-26-10-8-24/h1-6,11,21H,7-10,12H2,(H,23,25).
What are the key properties of 4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one?
4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one has a molecular weight of 370.84 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-morpholin-4-ylphenyl)methylamino]-2H-phthalazin-1-one is sourced from PubChem (CID 58447220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).