4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one

C24H23N5O2 — CID 16622943

IUPAC4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C24H23N5O2/c30-22(15-21-19-8-1-2-9-20(19)24(31)27-26-21)29-13-11-28(12-14-29)16-18-6-3-5-17-7-4-10-25-23(17)18/h1-10H,11-16H2,(H,27,31)
InChIKeyUPMHPHWSQFJBLA-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.36
Rot. Bonds4

About 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one

4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one (PubChem CID 16622943) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one
PubChem CID16622943
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C24H23N5O2/c30-22(15-21-19-8-1-2-9-20(19)24(31)27-26-21)29-13-11-28(12-14-29)16-18-6-3-5-17-7-4-10-25-23(17)18/h1-10H,11-16H2,(H,27,31)
InChIKeyUPMHPHWSQFJBLA-UHFFFAOYSA-N
XLogP2.36
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-N-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 16623035
3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
ethyl 4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-1-carboxylate
CID 2678381
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one
CID 4790924
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
(4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 94613605
4-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 166196668
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethanone
CID 55685577
7-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 166207806
N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
CID 55696987
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one (CID 16622943) is 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one is O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one?
The InChIKey is UPMHPHWSQFJBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-22(15-21-19-8-1-2-9-20(19)24(31)27-26-21)29-13-11-28(12-14-29)16-18-6-3-5-17-7-4-10-25-23(17)18/h1-10H,11-16H2,(H,27,31).
What are the key properties of 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one?
4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one has a molecular weight of 413.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one is sourced from PubChem (CID 16622943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).