N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide

C30H29Cl3N4O2 — CID 57402992

IUPACN-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4cc(Cl)c(Cl)cc4c3=O)CC2)c1
InChIInChI=1S/C30H29Cl3N4O2/c1-19(38)34-24-5-2-4-22(16-24)20-10-14-36(15-11-20)12-3-13-37-30(39)26-18-28(33)27(32)17-25(26)29(35-37)21-6-8-23(31)9-7-21/h2,4-9,16-18,20H,3,10-15H2,1H3,(H,34,38)
InChIKeyFQAOMFUPBGQHTA-UHFFFAOYSA-N
MW583.95 g/mol
LogP7.25
Rot. Bonds7

About N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 57402992) has the molecular formula C30H29Cl3N4O2 and a molecular weight of 583.95 g/mol. Its IUPAC name is N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID57402992
Molecular FormulaC30H29Cl3N4O2
Molecular Weight583.95 g/mol
Exact Mass582.14
IUPAC NameN-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4cc(Cl)c(Cl)cc4c3=O)CC2)c1
InChIInChI=1S/C30H29Cl3N4O2/c1-19(38)34-24-5-2-4-22(16-24)20-10-14-36(15-11-20)12-3-13-37-30(39)26-18-28(33)27(32)17-25(26)29(35-37)21-6-8-23(31)9-7-21/h2,4-9,16-18,20H,3,10-15H2,1H3,(H,34,38)
InChIKeyFQAOMFUPBGQHTA-UHFFFAOYSA-N
XLogP7.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.95
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-arylphthalazin-1(2H)-3,4-Di-F
CID 56835134
N-(3,4-dichlorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 2991140
N-[3-[1-[3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57390739
N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57392546
N-[3-[1-[3-[1-oxo-4-(4-propan-2-ylphenyl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57392548
N-[3-[1-[3-[4-(3,4-dichlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57392549
N-[3-[1-[3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57394271
N-[3-[1-[3-[6-chloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57394272
N-[3-[1-[3-[4-[4-(dimethylamino)phenyl]-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57394273
N-[3-[1-[3-[4-(2,4-difluorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57394274
N-[3-[1-[3-[4-(4-chloro-2-fluorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57394275
N-[3-[1-[3-[4-(4-cyanophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57396021

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 57402992) is N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4cc(Cl)c(Cl)cc4c3=O)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is FQAOMFUPBGQHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29Cl3N4O2/c1-19(38)34-24-5-2-4-22(16-24)20-10-14-36(15-11-20)12-3-13-37-30(39)26-18-28(33)27(32)17-25(26)29(35-37)21-6-8-23(31)9-7-21/h2,4-9,16-18,20H,3,10-15H2,1H3,(H,34,38).
What are the key properties of N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 583.95 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[6,7-dichloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 57402992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).