N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide

C21H27N5O3 — CID 133287702

IUPACN-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C21H27N5O3/c1-15(21(27)23-16-5-2-3-6-16)24-11-13-25(14-12-24)19-9-8-18(26(28)29)17-7-4-10-22-20(17)19/h4,7-10,15-16H,2-3,5-6,11-14H2,1H3,(H,23,27)
InChIKeyQXKLHGWRNCATFD-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.71
Rot. Bonds5

About N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide (PubChem CID 133287702) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
PubChem CID133287702
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CCCC1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1
InChIInChI=1S/C21H27N5O3/c1-15(21(27)23-16-5-2-3-6-16)24-11-13-25(14-12-24)19-9-8-18(26(28)29)17-7-4-10-22-20(17)19/h4,7-10,15-16H,2-3,5-6,11-14H2,1H3,(H,23,27)
InChIKeyQXKLHGWRNCATFD-UHFFFAOYSA-N
XLogP2.71
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-8-piperidin-1-ylquinoline
CID 3124100
4-[4-[1-(cyclopentylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-methyl-3-nitrobenzamide
CID 133287671
5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560
1-(2-methylpiperidin-1-yl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanone
CID 42949561
5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 2868370
N-[(2S)-butan-2-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]acetamide
CID 25332109
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
4-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-nitrobenzamide
CID 24587962
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
1-(8-nitroquinolin-5-yl)pyrrolidine-2-carboxylic acid
CID 43449364
N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide
CID 49431600

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide (CID 133287702) is N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide is CC(C(=O)NC1CCCC1)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1.
What is the InChIKey of N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide?
The InChIKey is QXKLHGWRNCATFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-15(21(27)23-16-5-2-3-6-16)24-11-13-25(14-12-24)19-9-8-18(26(28)29)17-7-4-10-22-20(17)19/h4,7-10,15-16H,2-3,5-6,11-14H2,1H3,(H,23,27).
What are the key properties of N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 133287702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).