2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid

C16H18N2O3 — CID 106361777

IUPAC2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(NC3CCCC3CO)ccc12
InChIInChI=1S/C16H18N2O3/c19-9-10-3-1-5-13(10)17-15-8-7-11-12(16(20)21)4-2-6-14(11)18-15/h2,4,6-8,10,13,19H,1,3,5,9H2,(H,17,18)(H,20,21)
InChIKeyCMKCQICJLFBHIF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.51
Rot. Bonds4

About 2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid

2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid (PubChem CID 106361777) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid
PubChem CID106361777
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(NC3CCCC3CO)ccc12
InChIInChI=1S/C16H18N2O3/c19-9-10-3-1-5-13(10)17-15-8-7-11-12(16(20)21)4-2-6-14(11)18-15/h2,4,6-8,10,13,19H,1,3,5,9H2,(H,17,18)(H,20,21)
InChIKeyCMKCQICJLFBHIF-UHFFFAOYSA-N
XLogP2.51
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyloxolan-3-yl)amino]quinoline-5-carboxylic acid
CID 82728278
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
2-[[2-(hydroxymethyl)cyclopentyl]amino]-3-methylbenzoic acid
CID 114179226
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)quinoline-5-carboxylic acid
CID 80715673
2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid
CID 114546973
[2-[(2-aminoquinazolin-4-yl)amino]cyclopentyl]methanol
CID 106368086
6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid
CID 106361766
2-tert-butyl-6-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-4-carboxylic acid
CID 106361779
3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
CID 114179237
1-[2-(cyclopropylamino)quinolin-5-yl]ethanone
CID 70964841
[2-[(2-aminoquinazolin-4-yl)amino]cyclohexyl]methanol
CID 106368258
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid (CID 106361777) is 2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid is O=C(O)c1cccc2nc(NC3CCCC3CO)ccc12.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid?
The InChIKey is CMKCQICJLFBHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-9-10-3-1-5-13(10)17-15-8-7-11-12(16(20)21)4-2-6-14(11)18-15/h2,4,6-8,10,13,19H,1,3,5,9H2,(H,17,18)(H,20,21).
What are the key properties of 2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid?
2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclopentyl]amino]quinoline-5-carboxylic acid is sourced from PubChem (CID 106361777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).