4-[(8-nitroquinolin-4-yl)amino]butan-1-ol

C13H15N3O3 — CID 106842695

IUPAC4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
SMILESO=[N+]([O-])c1cccc2c(NCCCCO)ccnc12
InChIInChI=1S/C13H15N3O3/c17-9-2-1-7-14-11-6-8-15-13-10(11)4-3-5-12(13)16(18)19/h3-6,8,17H,1-2,7,9H2,(H,14,15)
InChIKeyFJUGSOQEGSWVBS-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.33
Rot. Bonds6

About 4-[(8-nitroquinolin-4-yl)amino]butan-1-ol

4-[(8-nitroquinolin-4-yl)amino]butan-1-ol (PubChem CID 106842695) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[(8-nitroquinolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
PubChem CID106842695
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
SMILESO=[N+]([O-])c1cccc2c(NCCCCO)ccnc12
InChIInChI=1S/C13H15N3O3/c17-9-2-1-7-14-11-6-8-15-13-10(11)4-3-5-12(13)16(18)19/h3-6,8,17H,1-2,7,9H2,(H,14,15)
InChIKeyFJUGSOQEGSWVBS-UHFFFAOYSA-N
XLogP2.33
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(8-nitroquinolin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106307225
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
4-[(8-nitroquinolin-4-yl)amino]butanoic acid
CID 83060998
4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
CID 83060786
N-but-3-enyl-8-nitroquinolin-4-amine
CID 113465769
4-[(8-aminoquinolin-4-yl)amino]butan-1-ol
CID 106840285
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
8-nitro-N-(2H-tetrazol-5-ylmethyl)quinolin-4-amine
CID 83066870
2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106290733
4-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 19864513

Frequently Asked Questions

What is the IUPAC name of 4-[(8-nitroquinolin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(8-nitroquinolin-4-yl)amino]butan-1-ol (CID 106842695) is 4-[(8-nitroquinolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(8-nitroquinolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(8-nitroquinolin-4-yl)amino]butan-1-ol is O=[N+]([O-])c1cccc2c(NCCCCO)ccnc12.
What is the InChIKey of 4-[(8-nitroquinolin-4-yl)amino]butan-1-ol?
The InChIKey is FJUGSOQEGSWVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-9-2-1-7-14-11-6-8-15-13-10(11)4-3-5-12(13)16(18)19/h3-6,8,17H,1-2,7,9H2,(H,14,15).
What are the key properties of 4-[(8-nitroquinolin-4-yl)amino]butan-1-ol?
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol has a molecular weight of 261.28 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-nitroquinolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 106842695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).