1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone

C21H21N5O2 — CID 109169103

IUPAC1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnc(Nc3cccc4cccnc34)c2)CC1
InChIInChI=1S/C21H21N5O2/c1-15(27)25-10-12-26(13-11-25)21(28)17-7-9-22-19(14-17)24-18-6-2-4-16-5-3-8-23-20(16)18/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyIUIXPDVMSWYPOO-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.68
Rot. Bonds3

About 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109169103) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109169103
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccnc(Nc3cccc4cccnc34)c2)CC1
InChIInChI=1S/C21H21N5O2/c1-15(27)25-10-12-26(13-11-25)21(28)17-7-9-22-19(14-17)24-18-6-2-4-16-5-3-8-23-20(16)18/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyIUIXPDVMSWYPOO-UHFFFAOYSA-N
XLogP2.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone 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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(quinolin-8-ylamino)-4-pyridinyl]methanone
CID 109174019
1-[4-[5-(quinolin-8-ylamino)-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947143
4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 55695804
2-(2-methylanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176218
methyl 3-[[4-(4-acetylpiperazine-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109169096
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109177701
[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174558
[4-(3,4-difluorobenzoyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 129042836
piperidin-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109204521
3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
CID 109053846
ethyl 4-[2-(2,3-dimethylanilino)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109174269
N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109172233

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone (CID 109169103) is 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccnc(Nc3cccc4cccnc34)c2)CC1.
What is the InChIKey of 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is IUIXPDVMSWYPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-15(27)25-10-12-26(13-11-25)21(28)17-7-9-22-19(14-17)24-18-6-2-4-16-5-3-8-23-20(16)18/h2-9,14H,10-13H2,1H3,(H,22,24).
What are the key properties of 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 375.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(quinolin-8-ylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109169103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).