2-[(3-nitroquinolin-4-yl)amino]propan-1-ol

C12H13N3O3 — CID 14700381

IUPAC2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C12H13N3O3/c1-8(7-16)14-12-9-4-2-3-5-10(9)13-6-11(12)15(17)18/h2-6,8,16H,7H2,1H3,(H,13,14)
InChIKeySLYZDERNCMRNPK-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.94
Rot. Bonds4

About 2-[(3-nitroquinolin-4-yl)amino]propan-1-ol

2-[(3-nitroquinolin-4-yl)amino]propan-1-ol (PubChem CID 14700381) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(3-nitroquinolin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
PubChem CID14700381
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
SMILESCC(CO)Nc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C12H13N3O3/c1-8(7-16)14-12-9-4-2-3-5-10(9)13-6-11(12)15(17)18/h2-6,8,16H,7H2,1H3,(H,13,14)
InChIKeySLYZDERNCMRNPK-UHFFFAOYSA-N
XLogP1.94
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.94
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

3-[(3-nitroquinolin-4-yl)amino]butan-1-ol
CID 103964141
N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 103964023
N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine
CID 103964097
N-(1-methoxypropyl)-3-nitroquinolin-4-amine
CID 67837777
5-[(3-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106128996
N-[(1R)-1-cyclohexylethyl]-3-nitroquinolin-4-amine
CID 162716248
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
N-[(2R)-1-ethoxy-3-phenylpropan-2-yl]-3-nitroquinolin-4-amine
CID 155388594
2-methyl-2-N-(3-nitroquinolin-4-yl)propane-1,2-diamine
CID 68820625
N-(2-bromoprop-2-enyl)-3-nitroquinolin-4-amine
CID 113465098
4-[[(3-nitroquinolin-4-yl)amino]methyl]phenol
CID 171398102

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitroquinolin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(3-nitroquinolin-4-yl)amino]propan-1-ol (CID 14700381) is 2-[(3-nitroquinolin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(3-nitroquinolin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(3-nitroquinolin-4-yl)amino]propan-1-ol is CC(CO)Nc1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of 2-[(3-nitroquinolin-4-yl)amino]propan-1-ol?
The InChIKey is SLYZDERNCMRNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8(7-16)14-12-9-4-2-3-5-10(9)13-6-11(12)15(17)18/h2-6,8,16H,7H2,1H3,(H,13,14).
What are the key properties of 2-[(3-nitroquinolin-4-yl)amino]propan-1-ol?
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol has a molecular weight of 247.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitroquinolin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 14700381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).