4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid

C16H18N2O3 — CID 167745414

IUPAC4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid
SMILESO=C(O)c1cccc2c(NCC[C@H]3CCCO3)ccnc12
InChIInChI=1S/C16H18N2O3/c19-16(20)13-5-1-4-12-14(7-9-18-15(12)13)17-8-6-11-3-2-10-21-11/h1,4-5,7,9,11H,2-3,6,8,10H2,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyZIIMQWFYLSFFTO-LLVKDONJSA-N
MW286.33 g/mol
LogP2.91
Rot. Bonds5

About 4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid

4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid (PubChem CID 167745414) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid
PubChem CID167745414
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid
SMILESO=C(O)c1cccc2c(NCC[C@H]3CCCO3)ccnc12
InChIInChI=1S/C16H18N2O3/c19-16(20)13-5-1-4-12-14(7-9-18-15(12)13)17-8-6-11-3-2-10-21-11/h1,4-5,7,9,11H,2-3,6,8,10H2,(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyZIIMQWFYLSFFTO-LLVKDONJSA-N
XLogP2.91
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244837
8-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-5-sulfonamide
CID 95568609
4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid
CID 63377382
2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 63743835
3-nitro-2-[2-(oxolan-2-yl)ethylamino]benzoic acid
CID 115932332
2-hydroxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 104833640
4-[2-(oxolan-2-yl)ethylamino]quinazoline-2-carboxylic acid
CID 62405853
2-fluoro-4-[2-(oxolan-2-yl)ethylamino]benzoic acid
CID 113319760
3-methyl-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65158626
2-methyl-3-[2-(oxolan-2-yl)ethylsulfonyl]benzoic acid
CID 81444904
3-(oxolan-2-yl)-1-quinolin-5-ylpropan-1-one
CID 115789835
2-[2-[3-(oxolan-2-yl)propylamino]ethyl]benzoic acid
CID 104546797

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid?
The IUPAC name of 4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid (CID 167745414) is 4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid.
What is the SMILES notation for 4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid?
The canonical SMILES for 4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid is O=C(O)c1cccc2c(NCC[C@H]3CCCO3)ccnc12.
What is the InChIKey of 4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid?
The InChIKey is ZIIMQWFYLSFFTO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(20)13-5-1-4-12-14(7-9-18-15(12)13)17-8-6-11-3-2-10-21-11/h1,4-5,7,9,11H,2-3,6,8,10H2,(H,17,18)(H,19,20)/t11-/m1/s1.
What are the key properties of 4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid?
4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid is sourced from PubChem (CID 167745414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).