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

C13H13N3O3 — CID 115868727

IUPAC[1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol
SMILESO=[N+]([O-])c1c(NC2(CO)CC2)ccc2ncccc12
InChIInChI=1S/C13H13N3O3/c17-8-13(5-6-13)15-11-4-3-10-9(2-1-7-14-10)12(11)16(18)19/h1-4,7,15,17H,5-6,8H2
InChIKeyUXOUYZAKYVIYLT-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.08
Rot. Bonds4

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

[1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol (PubChem CID 115868727) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is [1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol
PubChem CID115868727
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name[1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol
SMILESO=[N+]([O-])c1c(NC2(CO)CC2)ccc2ncccc12
InChIInChI=1S/C13H13N3O3/c17-8-13(5-6-13)15-11-4-3-10-9(2-1-7-14-10)12(11)16(18)19/h1-4,7,15,17H,5-6,8H2
InChIKeyUXOUYZAKYVIYLT-UHFFFAOYSA-N
XLogP2.08
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.08
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]cyclopentyl]methanol
CID 62519209
N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine
CID 61366971
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
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
2-ethyl-2-[(5-nitroquinolin-6-yl)amino]butan-1-ol
CID 62519561
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine
CID 56584812
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
5-nitroquinolin-6-ol
CID 3997706
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
CID 51117035

Frequently Asked Questions

What is the IUPAC name of [1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol?
The IUPAC name of [1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol (CID 115868727) is [1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol?
The canonical SMILES for [1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol is O=[N+]([O-])c1c(NC2(CO)CC2)ccc2ncccc12.
What is the InChIKey of [1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol?
The InChIKey is UXOUYZAKYVIYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-8-13(5-6-13)15-11-4-3-10-9(2-1-7-14-10)12(11)16(18)19/h1-4,7,15,17H,5-6,8H2.
What are the key properties of [1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol?
[1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol has a molecular weight of 259.26 g/mol, XLogP of 2.08, 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]cyclopropyl]methanol is sourced from PubChem (CID 115868727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).