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

C16H18N2O3 — CID 63377382

IUPAC4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NCCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C16H18N2O3/c19-16(20)15-10-14(12-5-1-2-6-13(12)18-15)17-8-7-11-4-3-9-21-11/h1-2,5-6,10-11H,3-4,7-9H2,(H,17,18)(H,19,20)
InChIKeyPZSSQSOKRODKAP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.91
Rot. Bonds5

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

4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid (PubChem CID 63377382) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid
PubChem CID63377382
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(NCCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C16H18N2O3/c19-16(20)15-10-14(12-5-1-2-6-13(12)18-15)17-8-7-11-4-3-9-21-11/h1-2,5-6,10-11H,3-4,7-9H2,(H,17,18)(H,19,20)
InChIKeyPZSSQSOKRODKAP-UHFFFAOYSA-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]quinazoline-2-carboxylic acid
CID 62405853
4-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-8-carboxylic acid
CID 167745414
4-(2-acetamidoethylamino)quinoline-2-carboxylic acid
CID 63373952
4-[2-(oxolan-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244837
4-(morpholin-4-ylamino)quinoline-2-carboxylic acid
CID 83026481
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 71989359
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453104
2,4-dimethyl-N-[2-(oxan-2-yl)ethyl]quinoline-3-carboxamide
CID 132971003
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
2-fluoro-4-[2-(oxolan-2-yl)ethylamino]benzoic acid
CID 113319760

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid?
The IUPAC name of 4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid (CID 63377382) is 4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid is O=C(O)c1cc(NCCC2CCCO2)c2ccccc2n1.
What is the InChIKey of 4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid?
The InChIKey is PZSSQSOKRODKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-16(20)15-10-14(12-5-1-2-6-13(12)18-15)17-8-7-11-4-3-9-21-11/h1-2,5-6,10-11H,3-4,7-9H2,(H,17,18)(H,19,20).
What are the key properties of 4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid?
4-[2-(oxolan-2-yl)ethylamino]quinoline-2-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-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid is sourced from PubChem (CID 63377382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).