2-[(8-nitroquinolin-4-yl)amino]butan-1-ol

C13H15N3O3 — CID 83061011

IUPAC2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C13H15N3O3/c1-2-9(8-17)15-11-6-7-14-13-10(11)4-3-5-12(13)16(18)19/h3-7,9,17H,2,8H2,1H3,(H,14,15)
InChIKeyGITYVGUDGRQCOV-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.33
Rot. Bonds5

About 2-[(8-nitroquinolin-4-yl)amino]butan-1-ol

2-[(8-nitroquinolin-4-yl)amino]butan-1-ol (PubChem CID 83061011) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(8-nitroquinolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
PubChem CID83061011
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C13H15N3O3/c1-2-9(8-17)15-11-6-7-14-13-10(11)4-3-5-12(13)16(18)19/h3-7,9,17H,2,8H2,1H3,(H,14,15)
InChIKeyGITYVGUDGRQCOV-UHFFFAOYSA-N
XLogP2.33
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
3-[(8-nitroquinolin-4-yl)amino]pentanoic acid
CID 83066525
4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
CID 83060786
N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
(2S)-2-(2-nitroanilino)butan-1-ol
CID 51680957
N-(1-methylsulfonylpropan-2-yl)-8-nitroquinolin-4-amine
CID 83067027
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
2-[(3-nitro-4-pyridinyl)amino]butan-1-ol
CID 43500161
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
2-[(4-nitro-1,3-benzoxazol-2-yl)amino]butan-1-ol
CID 79880909
2-[(5-nitroquinolin-8-yl)amino]propane-1,3-diol
CID 65314483
2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol
CID 104553730

Frequently Asked Questions

What is the IUPAC name of 2-[(8-nitroquinolin-4-yl)amino]butan-1-ol?
The IUPAC name of 2-[(8-nitroquinolin-4-yl)amino]butan-1-ol (CID 83061011) is 2-[(8-nitroquinolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(8-nitroquinolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(8-nitroquinolin-4-yl)amino]butan-1-ol is CCC(CO)Nc1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 2-[(8-nitroquinolin-4-yl)amino]butan-1-ol?
The InChIKey is GITYVGUDGRQCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-9(8-17)15-11-6-7-14-13-10(11)4-3-5-12(13)16(18)19/h3-7,9,17H,2,8H2,1H3,(H,14,15).
What are the key properties of 2-[(8-nitroquinolin-4-yl)amino]butan-1-ol?
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol has a molecular weight of 261.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-nitroquinolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 83061011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).