1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol

C14H17N3O4 — CID 116525049

IUPAC1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol
SMILESCCNCC(O)COc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C14H17N3O4/c1-2-15-8-10(18)9-21-13-6-5-12(17(19)20)14-11(13)4-3-7-16-14/h3-7,10,15,18H,2,8-9H2,1H3
InChIKeyCUYZTZJGQZULHF-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.49
Rot. Bonds7

About 1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol

1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol (PubChem CID 116525049) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol
PubChem CID116525049
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol
SMILESCCNCC(O)COc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C14H17N3O4/c1-2-15-8-10(18)9-21-13-6-5-12(17(19)20)14-11(13)4-3-7-16-14/h3-7,10,15,18H,2,8-9H2,1H3
InChIKeyCUYZTZJGQZULHF-UHFFFAOYSA-N
XLogP1.49
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(8-nitroquinolin-5-yl)oxypropane-1,2-diol
CID 116525665
5-(2-bromo-3,3,3-trifluoropropoxy)-8-nitroquinoline
CID 116525103
trifluoro-[(8-nitroquinolin-5-yl)oxymethyl]boranuide
CID 116525706
2,2-dimethyl-3-(8-nitroquinolin-5-yl)oxypropanoic acid
CID 116524918
methyl 2-(8-nitroquinolin-5-yl)oxypropanoate
CID 116524927
3-(8-nitroquinolin-5-yl)oxypropanehydrazide
CID 116525701
1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol
CID 104594236
1-(4-chloronaphthalen-1-yl)oxy-3-(ethylamino)propan-2-ol
CID 43804642
(8-nitroquinolin-5-yl) carbonochloridate
CID 116525781
N'-hydroxy-2-(8-nitroquinolin-5-yl)oxybutanimidamide
CID 116525378
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol (CID 116525049) is 1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol is CCNCC(O)COc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of 1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol?
The InChIKey is CUYZTZJGQZULHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-15-8-10(18)9-21-13-6-5-12(17(19)20)14-11(13)4-3-7-16-14/h3-7,10,15,18H,2,8-9H2,1H3.
What are the key properties of 1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol?
1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol has a molecular weight of 291.31 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(8-nitroquinolin-5-yl)oxypropan-2-ol is sourced from PubChem (CID 116525049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).