2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone

C26H25N5O — CID 147842204

IUPAC2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone
SMILESNc1ncc(-c2ccccc2)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1
InChIInChI=1S/C26H25N5O/c27-26-20(13-21(16-30-26)18-4-2-1-3-5-18)14-25(32)22-12-19-6-7-23(15-24(19)29-17-22)31-10-8-28-9-11-31/h1-7,12-13,15-17,28H,8-11,14H2,(H2,27,30)
InChIKeyHTEOHHDCHQGHAL-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.71
Rot. Bonds5

About 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone

2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone (PubChem CID 147842204) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone
PubChem CID147842204
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone
SMILESNc1ncc(-c2ccccc2)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1
InChIInChI=1S/C26H25N5O/c27-26-20(13-21(16-30-26)18-4-2-1-3-5-18)14-25(32)22-12-19-6-7-23(15-24(19)29-17-22)31-10-8-28-9-11-31/h1-7,12-13,15-17,28H,8-11,14H2,(H2,27,30)
InChIKeyHTEOHHDCHQGHAL-UHFFFAOYSA-N
XLogP3.71
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-[2-oxo-2-(7-piperazin-1-ylquinolin-3-yl)ethyl]-4-thiophen-2-ylphenyl]carbamate
CID 161218316
2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone
CID 159109918
bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline
CID 157435188
N-(5-methyl-3-nitro-6-phenyl-2-pyridinyl)-7-piperazin-1-ylquinoline-3-carboxamide
CID 126598645
3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
CID 72877578
4-(3-carbamoylquinolin-7-yl)piperazine-1-carboxylic acid
CID 90014697
3-phenylquinoline-7-carboxylic acid
CID 68924560
7-(4-methylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 172755774
2-(5-piperazin-1-ylbenzimidazol-1-yl)acetic acid
CID 83972310
2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone
CID 148807592
(3-chlorophenyl)-(6-piperazin-1-ylquinolin-3-yl)methanone
CID 69346649
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone?
The IUPAC name of 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone (CID 147842204) is 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone.
What is the SMILES notation for 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone?
The canonical SMILES for 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone is Nc1ncc(-c2ccccc2)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1.
What is the InChIKey of 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone?
The InChIKey is HTEOHHDCHQGHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c27-26-20(13-21(16-30-26)18-4-2-1-3-5-18)14-25(32)22-12-19-6-7-23(15-24(19)29-17-22)31-10-8-28-9-11-31/h1-7,12-13,15-17,28H,8-11,14H2,(H2,27,30).
What are the key properties of 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone?
2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone has a molecular weight of 423.52 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-phenyl-3-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone is sourced from PubChem (CID 147842204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).