2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol

C14H17N3O3 — CID 83060643

IUPAC2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H17N3O3/c1-10(2)16(8-9-18)12-6-7-15-14-11(12)4-3-5-13(14)17(19)20/h3-7,10,18H,8-9H2,1-2H3
InChIKeySPVVHHASEIMTOW-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.35
Rot. Bonds5

About 2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol

2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol (PubChem CID 83060643) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol
PubChem CID83060643
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)c1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H17N3O3/c1-10(2)16(8-9-18)12-6-7-15-14-11(12)4-3-5-13(14)17(19)20/h3-7,10,18H,8-9H2,1-2H3
InChIKeySPVVHHASEIMTOW-UHFFFAOYSA-N
XLogP2.35
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
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

2-[methyl-(8-nitroquinolin-4-yl)amino]propan-1-ol
CID 104553730
2-[2,2-difluoroethyl-(8-nitroquinolin-4-yl)amino]ethanol
CID 107484119
2-[cyclobutyl-(8-nitroquinolin-4-yl)amino]ethanol
CID 102869017
2-[propan-2-yl(quinolin-4-yl)amino]ethanol
CID 61339739
4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
CID 83060786
N-(1-methylsulfonylpropan-2-yl)-8-nitroquinolin-4-amine
CID 83067027
2-(8-nitroquinolin-4-yl)butanoic acid
CID 113428090
3-[(3-nitro-4-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61145730
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
3-[2-hydroxyethyl(propan-2-yl)amino]-2-nitrobenzoic acid
CID 113332074

Frequently Asked Questions

What is the IUPAC name of 2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol (CID 83060643) is 2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol is CC(C)N(CCO)c1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol?
The InChIKey is SPVVHHASEIMTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(2)16(8-9-18)12-6-7-15-14-11(12)4-3-5-13(14)17(19)20/h3-7,10,18H,8-9H2,1-2H3.
What are the key properties of 2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol?
2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol has a molecular weight of 275.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 83060643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).