1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol

C14H15N3O3 — CID 115669126

IUPAC1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
SMILESO=[N+]([O-])c1ccc2nc(NCC3(O)CCC3)ccc2c1
InChIInChI=1S/C14H15N3O3/c18-14(6-1-7-14)9-15-13-5-2-10-8-11(17(19)20)3-4-12(10)16-13/h2-5,8,18H,1,6-7,9H2,(H,15,16)
InChIKeyJQARLIYLIIHCEB-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.47
Rot. Bonds4

About 1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol

1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 115669126) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
PubChem CID115669126
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
SMILESO=[N+]([O-])c1ccc2nc(NCC3(O)CCC3)ccc2c1
InChIInChI=1S/C14H15N3O3/c18-14(6-1-7-14)9-15-13-5-2-10-8-11(17(19)20)3-4-12(10)16-13/h2-5,8,18H,1,6-7,9H2,(H,15,16)
InChIKeyJQARLIYLIIHCEB-UHFFFAOYSA-N
XLogP2.47
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.47
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

6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
6-nitro-N-propylquinolin-2-amine
CID 43450859
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576
N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine
CID 107419321
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
6-[(1-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471774
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-nitroquinolin-2-amine
CID 133459148
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
1-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 113350219
1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451
N-[(3-bromothiophen-2-yl)methyl]-6-nitroquinolin-2-amine
CID 78983744

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol (CID 115669126) is 1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol is O=[N+]([O-])c1ccc2nc(NCC3(O)CCC3)ccc2c1.
What is the InChIKey of 1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is JQARLIYLIIHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-14(6-1-7-14)9-15-13-5-2-10-8-11(17(19)20)3-4-12(10)16-13/h2-5,8,18H,1,6-7,9H2,(H,15,16).
What are the key properties of 1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol?
1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 273.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115669126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).