2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one

C26H25Cl2FN4O2 — CID 66548811

IUPAC2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one
SMILESO=c1c2c(F)cccc2c(Cc2ccco2)nn1CCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C26H25Cl2FN4O2/c27-20-7-2-9-23(25(20)28)32-14-12-31(13-15-32)10-4-11-33-26(34)24-19(6-1-8-21(24)29)22(30-33)17-18-5-3-16-35-18/h1-3,5-9,16H,4,10-15,17H2
InChIKeyNDYOQUYQRHAQPC-UHFFFAOYSA-N
MW515.42 g/mol
LogP5.24
Rot. Bonds7

About 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one

2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one (PubChem CID 66548811) has the molecular formula C26H25Cl2FN4O2 and a molecular weight of 515.42 g/mol. Its IUPAC name is 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one.

Molecular Properties

Compound Name2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one
PubChem CID66548811
Molecular FormulaC26H25Cl2FN4O2
Molecular Weight515.42 g/mol
Exact Mass514.13
IUPAC Name2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one
SMILESO=c1c2c(F)cccc2c(Cc2ccco2)nn1CCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C26H25Cl2FN4O2/c27-20-7-2-9-23(25(20)28)32-14-12-31(13-15-32)10-4-11-33-26(34)24-19(6-1-8-21(24)29)22(30-33)17-18-5-3-16-35-18/h1-3,5-9,16H,4,10-15,17H2
InChIKeyNDYOQUYQRHAQPC-UHFFFAOYSA-N
XLogP5.24
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one with MolForge

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Related Compounds

ethyl 2-[3-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-5-fluoro-4-oxophthalazin-1-yl]acetate
CID 142710332
2-N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-6-fluoro-4-N-(furan-2-ylmethyl)quinazoline-2,4-diamine
CID 53317003
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
3-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 50943496
3-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 50943497
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one
CID 123755399
3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]-1,2,3-benzotriazin-4-one
CID 24777372
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-methylphthalazin-1-one
CID 110183574
3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]pyrimido[5,4-c]quinolin-4-one;trihydrochloride
CID 90664694
3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 50943495

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one?
The IUPAC name of 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one (CID 66548811) is 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one.
What is the SMILES notation for 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one?
The canonical SMILES for 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one is O=c1c2c(F)cccc2c(Cc2ccco2)nn1CCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one?
The InChIKey is NDYOQUYQRHAQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2FN4O2/c27-20-7-2-9-23(25(20)28)32-14-12-31(13-15-32)10-4-11-33-26(34)24-19(6-1-8-21(24)29)22(30-33)17-18-5-3-16-35-18/h1-3,5-9,16H,4,10-15,17H2.
What are the key properties of 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one?
2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one has a molecular weight of 515.42 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-8-fluoro-4-(furan-2-ylmethyl)phthalazin-1-one is sourced from PubChem (CID 66548811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).