6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine

C17H22N4O2 — CID 133273649

IUPAC6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine
SMILESCC(CN1CCCCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C17H22N4O2/c1-13(12-20-9-3-2-4-10-20)18-17-8-5-14-11-15(21(22)23)6-7-16(14)19-17/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,18,19)
InChIKeyIPWOHIVYFPKRNS-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.43
Rot. Bonds5

About 6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine

6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine (PubChem CID 133273649) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine.

Molecular Properties

Compound Name6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine
PubChem CID133273649
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine
SMILESCC(CN1CCCCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C17H22N4O2/c1-13(12-20-9-3-2-4-10-20)18-17-8-5-14-11-15(21(22)23)6-7-16(14)19-17/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,18,19)
InChIKeyIPWOHIVYFPKRNS-UHFFFAOYSA-N
XLogP3.43
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-nitro-N-pentan-2-ylquinolin-2-amine
CID 43450883
6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 103888459
2-iodo-4-nitro-N-(1-piperidin-1-ylpropan-2-yl)aniline
CID 66092862
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580
N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
CID 63839044
6-N-methyl-3-nitro-2-N-(1-piperidin-1-ylpropan-2-yl)pyridine-2,6-diamine
CID 80783478
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-6-nitroquinolin-2-amine
CID 97221261
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
N-[1-(4-nitrophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749027
6-nitro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)quinolin-2-amine
CID 133382931

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine?
The IUPAC name of 6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine (CID 133273649) is 6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine.
What is the SMILES notation for 6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine?
The canonical SMILES for 6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine is CC(CN1CCCCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine?
The InChIKey is IPWOHIVYFPKRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13(12-20-9-3-2-4-10-20)18-17-8-5-14-11-15(21(22)23)6-7-16(14)19-17/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,18,19).
What are the key properties of 6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine?
6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(1-piperidin-1-ylpropan-2-yl)quinolin-2-amine is sourced from PubChem (CID 133273649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).