2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol

C15H17N3O3 — CID 102869017

IUPAC2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol
SMILESO=[N+]([O-])c1cccc2c(N(CCO)C3CCC3)ccnc12
InChIInChI=1S/C15H17N3O3/c19-10-9-17(11-3-1-4-11)13-7-8-16-15-12(13)5-2-6-14(15)18(20)21/h2,5-8,11,19H,1,3-4,9-10H2
InChIKeyXBEHGMLMHWZJOI-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.49
Rot. Bonds5

About 2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol

2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol (PubChem CID 102869017) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol
PubChem CID102869017
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol
SMILESO=[N+]([O-])c1cccc2c(N(CCO)C3CCC3)ccnc12
InChIInChI=1S/C15H17N3O3/c19-10-9-17(11-3-1-4-11)13-7-8-16-15-12(13)5-2-6-14(15)18(20)21/h2,5-8,11,19H,1,3-4,9-10H2
InChIKeyXBEHGMLMHWZJOI-UHFFFAOYSA-N
XLogP2.49
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.49
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

2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol
CID 83060643
2-[2,2-difluoroethyl-(8-nitroquinolin-4-yl)amino]ethanol
CID 107484119
2-(4-bromo-N-cyclobutyl-2-nitroanilino)ethanol
CID 102675210
2-[cyclopropyl-(7-fluoro-5-nitroquinolin-8-yl)amino]ethanol
CID 83164161
2-(N-cyclobutyl-4-methylsulfonyl-2-nitroanilino)ethanol
CID 102675195
2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol
CID 104553730
3-(N-cyclobutyl-2-nitroanilino)propan-1-ol
CID 102846754
2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol
CID 66080534
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279
(1R)-1-[4-[cyclopentyl(2-hydroxyethyl)amino]-3-nitrophenyl]ethanol
CID 63372699
3-[cyclopentyl(2-hydroxyethyl)amino]-2-nitrobenzoic acid
CID 115542324

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol (CID 102869017) is 2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol is O=[N+]([O-])c1cccc2c(N(CCO)C3CCC3)ccnc12.
What is the InChIKey of 2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol?
The InChIKey is XBEHGMLMHWZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-10-9-17(11-3-1-4-11)13-7-8-16-15-12(13)5-2-6-14(15)18(20)21/h2,5-8,11,19H,1,3-4,9-10H2.
What are the key properties of 2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol?
2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol has a molecular weight of 287.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol is sourced from PubChem (CID 102869017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).