3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one

C23H25N3O — CID 51336494

IUPAC3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C23H25N3O/c27-22(12-11-19-6-2-1-3-7-19)26-16-14-25(15-17-26)18-21-9-4-8-20-10-5-13-24-23(20)21/h1-10,13H,11-12,14-18H2
InChIKeyALMPLEAKZYHXTJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.51
Rot. Bonds5

About 3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one

3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 51336494) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID51336494
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C23H25N3O/c27-22(12-11-19-6-2-1-3-7-19)26-16-14-25(15-17-26)18-21-9-4-8-20-10-5-13-24-23(20)21/h1-10,13H,11-12,14-18H2
InChIKeyALMPLEAKZYHXTJ-UHFFFAOYSA-N
XLogP3.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55616121
2-naphthalen-1-yl-N-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 16623035
4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one
CID 16622943
1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 99247163
3-phenyl-N-[1-[7-(quinolin-8-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]propanamide
CID 45203631
N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
CID 55696987
(2-iodo-3-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55691428
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
2,4-difluoro-N-[3-oxo-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 55513642
(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623005

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one (CID 51336494) is 3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of 3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is ALMPLEAKZYHXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-22(12-11-19-6-2-1-3-7-19)26-16-14-25(15-17-26)18-21-9-4-8-20-10-5-13-24-23(20)21/h1-10,13H,11-12,14-18H2.
What are the key properties of 3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one?
3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 359.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 51336494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).