4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol

C19H18N4O3 — CID 30746841

IUPAC4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)c2ncccc12
InChIInChI=1S/C19H18N4O3/c24-15-5-3-14(4-6-15)21-10-12-22(13-11-21)18-8-7-17(23(25)26)16-2-1-9-20-19(16)18/h1-9,24H,10-13H2
InChIKeyHJEORZGEHWKMJU-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.18
Rot. Bonds3

About 4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol

4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol (PubChem CID 30746841) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
PubChem CID30746841
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)c2ncccc12
InChIInChI=1S/C19H18N4O3/c24-15-5-3-14(4-6-15)21-10-12-22(13-11-21)18-8-7-17(23(25)26)16-2-1-9-20-19(16)18/h1-9,24H,10-13H2
InChIKeyHJEORZGEHWKMJU-UHFFFAOYSA-N
XLogP3.18
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.18
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-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560
5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 2868370
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
5-nitro-8-(4-pyridin-2-ylpiperazin-1-yl)quinoline;bis(2,2,2-trifluoroacetic acid)
CID 46238557
(3,4-dichlorophenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 2866417
4-(5-nitroquinolin-8-yl)piperazin-2-one
CID 46850818
N-[(2S)-butan-2-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]acetamide
CID 25332109
N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
CID 133287702
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitroquinoline
CID 66211256
(3,4-dimethoxyphenyl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methanone
CID 31662357
1-(2-methylpiperidin-1-yl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanone
CID 42949561
(NZ)-N-[(4-amino-1,2,5-oxadiazol-3-yl)-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]methylidene]hydroxylamine
CID 135411622

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol (CID 30746841) is 4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol is O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)c2ncccc12.
What is the InChIKey of 4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol?
The InChIKey is HJEORZGEHWKMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-15-5-3-14(4-6-15)21-10-12-22(13-11-21)18-8-7-17(23(25)26)16-2-1-9-20-19(16)18/h1-9,24H,10-13H2.
What are the key properties of 4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol?
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol has a molecular weight of 350.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 30746841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).