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

C14H17N3O3 — CID 83060786

IUPAC4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H17N3O3/c1-10(4-3-9-18)16-12-7-8-15-14-11(12)5-2-6-13(14)17(19)20/h2,5-8,10,18H,3-4,9H2,1H3,(H,15,16)
InChIKeyGTZSVQQODKDQTQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.72
Rot. Bonds6

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

4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol (PubChem CID 83060786) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
PubChem CID83060786
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)Nc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H17N3O3/c1-10(4-3-9-18)16-12-7-8-15-14-11(12)5-2-6-13(14)17(19)20/h2,5-8,10,18H,3-4,9H2,1H3,(H,15,16)
InChIKeyGTZSVQQODKDQTQ-UHFFFAOYSA-N
XLogP2.72
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.72
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-(1-methylsulfonylpropan-2-yl)-8-nitroquinolin-4-amine
CID 83067027
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
3-[2-[(8-nitroquinolin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106307225
3-[(8-nitroquinolin-4-yl)amino]pentanoic acid
CID 83066525
3-[(8-nitroquinolin-5-yl)amino]butanoic acid
CID 43449375
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol
CID 83060643
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308

Frequently Asked Questions

What is the IUPAC name of 4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol (CID 83060786) is 4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol is CC(CCCO)Nc1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol?
The InChIKey is GTZSVQQODKDQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(4-3-9-18)16-12-7-8-15-14-11(12)5-2-6-13(14)17(19)20/h2,5-8,10,18H,3-4,9H2,1H3,(H,15,16).
What are the key properties of 4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol?
4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol has a molecular weight of 275.31 g/mol, XLogP of 2.72, 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]pentan-1-ol is sourced from PubChem (CID 83060786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).