2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol

C13H15N3O3 — CID 103964839

IUPAC2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol
SMILESCCN(CCO)c1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C13H15N3O3/c1-2-15(7-8-17)13-10-5-3-4-6-11(10)14-9-12(13)16(18)19/h3-6,9,17H,2,7-8H2,1H3
InChIKeyDYQIDINIWQUBRN-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.96
Rot. Bonds5

About 2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol

2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol (PubChem CID 103964839) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol
PubChem CID103964839
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol
SMILESCCN(CCO)c1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C13H15N3O3/c1-2-15(7-8-17)13-10-5-3-4-6-11(10)14-9-12(13)16(18)19/h3-6,9,17H,2,7-8H2,1H3
InChIKeyDYQIDINIWQUBRN-UHFFFAOYSA-N
XLogP1.96
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.96
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-(N-ethyl-2-methyl-6-nitroanilino)ethanol
CID 115553982
N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine
CID 103964777
2-[ethyl(2-hydroxyethyl)amino]-3-nitrobenzoic acid
CID 112576860
3-[(3-nitroquinolin-4-yl)amino]butan-1-ol
CID 103964141
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
CID 14700381
4-chloro-3-nitroquinoline;ethane
CID 90799881
2-(2-nitro-N-propylanilino)ethanol
CID 61426021
3-nitroquinoline-4-carboxamide
CID 19034747
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
2-[N-ethyl-4-[(4-nitronaphthalen-1-yl)diazenyl]anilino]ethanol
CID 59814976
N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 103964023

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol?
The IUPAC name of 2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol (CID 103964839) is 2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol is CCN(CCO)c1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of 2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol?
The InChIKey is DYQIDINIWQUBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-15(7-8-17)13-10-5-3-4-6-11(10)14-9-12(13)16(18)19/h3-6,9,17H,2,7-8H2,1H3.
What are the key properties of 2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol?
2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol has a molecular weight of 261.28 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-nitroquinolin-4-yl)amino]ethanol is sourced from PubChem (CID 103964839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).