2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol

C17H22N4O3 — CID 133281367

IUPAC2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESO=[N+]([O-])c1ccc2nc(NCC3CCN(CCO)CC3)ccc2c1
InChIInChI=1S/C17H22N4O3/c22-10-9-20-7-5-13(6-8-20)12-18-17-4-1-14-11-15(21(23)24)2-3-16(14)19-17/h1-4,11,13,22H,5-10,12H2,(H,18,19)
InChIKeyYJBRBABMWPWARL-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.26
Rot. Bonds6

About 2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol

2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 133281367) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID133281367
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESO=[N+]([O-])c1ccc2nc(NCC3CCN(CCO)CC3)ccc2c1
InChIInChI=1S/C17H22N4O3/c22-10-9-20-7-5-13(6-8-20)12-18-17-4-1-14-11-15(21(23)24)2-3-16(14)19-17/h1-4,11,13,22H,5-10,12H2,(H,18,19)
InChIKeyYJBRBABMWPWARL-UHFFFAOYSA-N
XLogP2.26
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
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

2-[4-[[4-nitro-2-(trifluoromethyl)anilino]methyl]piperidin-1-yl]ethanol
CID 133281371
N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine
CID 107419321
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
6-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]quinolin-2-amine
CID 11619309
2-[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133329211
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine
CID 133306017
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
6-nitro-N-propylquinolin-2-amine
CID 43450859
1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
CID 115669126
tert-butyl (3S)-3-[[(6-nitroquinoxalin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97171211
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine
CID 97221261

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol (CID 133281367) is 2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol is O=[N+]([O-])c1ccc2nc(NCC3CCN(CCO)CC3)ccc2c1.
What is the InChIKey of 2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is YJBRBABMWPWARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-10-9-20-7-5-13(6-8-20)12-18-17-4-1-14-11-15(21(23)24)2-3-16(14)19-17/h1-4,11,13,22H,5-10,12H2,(H,18,19).
What are the key properties of 2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol?
2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 330.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-nitroquinolin-2-yl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 133281367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).