5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride

C23H31Cl2N5O2 — CID 23449582

IUPAC5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride
SMILESCN(C)CCCCC(=O)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1N(C)C.Cl.Cl
InChIInChI=1S/C23H29N5O2.2ClH/c1-27(2)14-8-7-11-21(29)24-19-15-16(12-13-20(19)28(3)4)22-17-9-5-6-10-18(17)23(30)26-25-22;;/h5-6,9-10,12-13,15H,7-8,11,14H2,1-4H3,(H,24,29)(H,26,30);2*1H
InChIKeyGPMLXOGSROVUIU-UHFFFAOYSA-N
MW480.44 g/mol
LogP4.17
Rot. Bonds8

About 5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride

5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride (PubChem CID 23449582) has the molecular formula C23H31Cl2N5O2 and a molecular weight of 480.44 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride
PubChem CID23449582
Molecular FormulaC23H31Cl2N5O2
Molecular Weight480.44 g/mol
Exact Mass479.19
IUPAC Name5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride
SMILESCN(C)CCCCC(=O)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1N(C)C.Cl.Cl
InChIInChI=1S/C23H29N5O2.2ClH/c1-27(2)14-8-7-11-21(29)24-19-15-16(12-13-20(19)28(3)4)22-17-9-5-6-10-18(17)23(30)26-25-22;;/h5-6,9-10,12-13,15H,7-8,11,14H2,1-4H3,(H,24,29)(H,26,30);2*1H
InChIKeyGPMLXOGSROVUIU-UHFFFAOYSA-N
XLogP4.17
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride?
The IUPAC name of 5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride (CID 23449582) is 5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride.
What is the SMILES notation for 5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride?
The canonical SMILES for 5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride is CN(C)CCCCC(=O)Nc1cc(-c2n[nH]c(=O)c3ccccc23)ccc1N(C)C.Cl.Cl.
What is the InChIKey of 5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride?
The InChIKey is GPMLXOGSROVUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2.2ClH/c1-27(2)14-8-7-11-21(29)24-19-15-16(12-13-20(19)28(3)4)22-17-9-5-6-10-18(17)23(30)26-25-22;;/h5-6,9-10,12-13,15H,7-8,11,14H2,1-4H3,(H,24,29)(H,26,30);2*1H.
What are the key properties of 5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride?
5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride has a molecular weight of 480.44 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[2-(dimethylamino)-5-(4-oxo-3H-phthalazin-1-yl)phenyl]pentanamide;dihydrochloride is sourced from PubChem (CID 23449582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).