[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol

C15H17N3O3 — CID 62519209

IUPAC[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1c(NC2(CO)CCCC2)ccc2ncccc12
InChIInChI=1S/C15H17N3O3/c19-10-15(7-1-2-8-15)17-13-6-5-12-11(4-3-9-16-12)14(13)18(20)21/h3-6,9,17,19H,1-2,7-8,10H2
InChIKeyLLWYFFZOCDWBJA-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.86
Rot. Bonds4

About [1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol

[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol (PubChem CID 62519209) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol
PubChem CID62519209
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol
SMILESO=[N+]([O-])c1c(NC2(CO)CCCC2)ccc2ncccc12
InChIInChI=1S/C15H17N3O3/c19-10-15(7-1-2-8-15)17-13-6-5-12-11(4-3-9-16-12)14(13)18(20)21/h3-6,9,17,19H,1-2,7-8,10H2
InChIKeyLLWYFFZOCDWBJA-UHFFFAOYSA-N
XLogP2.86
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
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

[1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol
CID 115868727
N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine
CID 61366971
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine
CID 56584812
2-ethyl-2-[(5-nitroquinolin-6-yl)amino]butan-1-ol
CID 62519561
[1-(3-amino-2-nitroanilino)cyclopentyl]methanol
CID 80833202
[1-[3-(methylamino)-2-nitroanilino]cyclopentyl]methanol
CID 80832784
5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine
CID 79360124
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121
N'-(5-nitroquinolin-6-yl)-N-phenylpropane-1,3-diamine
CID 86938939
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731831

Frequently Asked Questions

What is the IUPAC name of [1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol?
The IUPAC name of [1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol (CID 62519209) is [1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol is O=[N+]([O-])c1c(NC2(CO)CCCC2)ccc2ncccc12.
What is the InChIKey of [1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol?
The InChIKey is LLWYFFZOCDWBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-15(7-1-2-8-15)17-13-6-5-12-11(4-3-9-16-12)14(13)18(20)21/h3-6,9,17,19H,1-2,7-8,10H2.
What are the key properties of [1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol?
[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 62519209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).