2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol

C15H17N3O3 — CID 62359986

IUPAC2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(NC2CCCCC2O)c2cccnc12
InChIInChI=1S/C15H17N3O3/c19-14-6-2-1-5-12(14)17-11-7-8-13(18(20)21)15-10(11)4-3-9-16-15/h3-4,7-9,12,14,17,19H,1-2,5-6H2
InChIKeyNFONEYDUPUBZEP-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.86
Rot. Bonds3

About 2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol

2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol (PubChem CID 62359986) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol
PubChem CID62359986
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(NC2CCCCC2O)c2cccnc12
InChIInChI=1S/C15H17N3O3/c19-14-6-2-1-5-12(14)17-11-7-8-13(18(20)21)15-10(11)4-3-9-16-15/h3-4,7-9,12,14,17,19H,1-2,5-6H2
InChIKeyNFONEYDUPUBZEP-UHFFFAOYSA-N
XLogP2.86
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
trans-(1S,2S)-2-[(8-nitroisoquinolin-5-yl)amino]cyclohexan-1-ol
CID 133495382
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one
CID 62091958
N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine
CID 43599066
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
3-[(8-nitroquinolin-5-yl)amino]propanoic acid
CID 43449368
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine
CID 115308115

Frequently Asked Questions

What is the IUPAC name of 2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol (CID 62359986) is 2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol is O=[N+]([O-])c1ccc(NC2CCCCC2O)c2cccnc12.
What is the InChIKey of 2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol?
The InChIKey is NFONEYDUPUBZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14-6-2-1-5-12(14)17-11-7-8-13(18(20)21)15-10(11)4-3-9-16-15/h3-4,7-9,12,14,17,19H,1-2,5-6H2.
What are the key properties of 2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol?
2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 62359986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).