2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione

C24H30N4O3 — CID 110184124

IUPAC2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
SMILESCCn1c(=O)c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H30N4O3/c1-3-27-23(29)19-9-4-5-10-20(19)24(30)28(27)14-8-13-25-15-17-26(18-16-25)21-11-6-7-12-22(21)31-2/h4-7,9-12H,3,8,13-18H2,1-2H3
InChIKeyYHEUOYCFDPCXEL-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.40
Rot. Bonds7

About 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione

2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione (PubChem CID 110184124) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione.

Molecular Properties

Compound Name2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
PubChem CID110184124
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
SMILESCCn1c(=O)c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C24H30N4O3/c1-3-27-23(29)19-9-4-5-10-20(19)24(30)28(27)14-8-13-25-15-17-26(18-16-25)21-11-6-7-12-22(21)31-2/h4-7,9-12H,3,8,13-18H2,1-2H3
InChIKeyYHEUOYCFDPCXEL-UHFFFAOYSA-N
XLogP2.40
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
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CID 47520269
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
1-(2-hydroxyethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 13387788
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
1-(5-hydroxypentyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 13387790
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,5-dimethyl-4a,9b-dihydropyrimido[5,4-b]indole-2,4-dione
CID 44586692

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione?
The IUPAC name of 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione (CID 110184124) is 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione.
What is the SMILES notation for 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione?
The canonical SMILES for 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione is CCn1c(=O)c2ccccc2c(=O)n1CCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione?
The InChIKey is YHEUOYCFDPCXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-3-27-23(29)19-9-4-5-10-20(19)24(30)28(27)14-8-13-25-15-17-26(18-16-25)21-11-6-7-12-22(21)31-2/h4-7,9-12H,3,8,13-18H2,1-2H3.
What are the key properties of 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione?
2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione has a molecular weight of 422.53 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione is sourced from PubChem (CID 110184124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).