3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol

C15H19N3O3 — CID 61146074

IUPAC3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-11(2)17(9-4-10-19)14-7-6-13-12(5-3-8-16-13)15(14)18(20)21/h3,5-8,11,19H,4,9-10H2,1-2H3
InChIKeyQZSIBENYBAJPKD-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.74
Rot. Bonds6

About 3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol

3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol (PubChem CID 61146074) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol
PubChem CID61146074
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H19N3O3/c1-11(2)17(9-4-10-19)14-7-6-13-12(5-3-8-16-13)15(14)18(20)21/h3,5-8,11,19H,4,9-10H2,1-2H3
InChIKeyQZSIBENYBAJPKD-UHFFFAOYSA-N
XLogP2.74
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.74
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

4-[methyl-(5-nitroquinolin-6-yl)amino]butan-2-ol
CID 115658317
2-[methyl-(5-nitroquinolin-6-yl)amino]acetic acid
CID 43809826
3-[(3-nitro-4-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61145730
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121
5-nitroquinolin-6-ol
CID 3997706
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
2-[cyclopropyl-(5-nitroquinolin-6-yl)amino]acetic acid
CID 60840026
2-[propan-2-yl(quinolin-4-yl)amino]ethanol
CID 61339739
5,6-dinitroquinoline
CID 119087514
6-(1-chloropropan-2-ylsulfanyl)-5-nitroquinoline
CID 113373866
2-(5-nitroquinolin-6-yl)sulfanylpropanoic acid
CID 43809945
2-[(8-nitroquinolin-4-yl)-propan-2-ylamino]ethanol
CID 83060643

Frequently Asked Questions

What is the IUPAC name of 3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol (CID 61146074) is 3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)c1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of 3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol?
The InChIKey is QZSIBENYBAJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(2)17(9-4-10-19)14-7-6-13-12(5-3-8-16-13)15(14)18(20)21/h3,5-8,11,19H,4,9-10H2,1-2H3.
What are the key properties of 3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol?
3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol has a molecular weight of 289.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-nitroquinolin-6-yl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 61146074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).