2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid

C16H18N2O3 — CID 114756945

IUPAC2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(NCC2(CCO)CC2)nc2ccccc12
InChIInChI=1S/C16H18N2O3/c19-8-7-16(5-6-16)10-17-14-9-12(15(20)21)11-3-1-2-4-13(11)18-14/h1-4,9,19H,5-8,10H2,(H,17,18)(H,20,21)
InChIKeyIGGPLCVBBZXQDK-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.51
Rot. Bonds6

About 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid

2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid (PubChem CID 114756945) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid
PubChem CID114756945
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(NCC2(CCO)CC2)nc2ccccc12
InChIInChI=1S/C16H18N2O3/c19-8-7-16(5-6-16)10-17-14-9-12(15(20)21)11-3-1-2-4-13(11)18-14/h1-4,9,19H,5-8,10H2,(H,17,18)(H,20,21)
InChIKeyIGGPLCVBBZXQDK-UHFFFAOYSA-N
XLogP2.51
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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-[(3-hydroxy-2,2-dimethylpropyl)amino]quinoline-4-carboxylic acid
CID 115360551
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinoline-4-carbonitrile
CID 79479205
2-[1-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759530
2-(but-2-ynylamino)quinoline-4-carboxylic acid
CID 113464681
2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid
CID 113463887
6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid
CID 136548093
2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 103736838
4-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]quinoline-2-carbonitrile
CID 133376100
2-[1-[(quinazolin-2-ylamino)methyl]cyclopropyl]ethanol
CID 114789342
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-[3-[cyclohexyl(methyl)amino]propylamino]quinoline-4-carboxylic acid
CID 50805947
2-(3,3-dimethylbutan-2-ylamino)quinoline-4-carboxylic acid
CID 104828568

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid?
The IUPAC name of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid (CID 114756945) is 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid is O=C(O)c1cc(NCC2(CCO)CC2)nc2ccccc12.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid?
The InChIKey is IGGPLCVBBZXQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-8-7-16(5-6-16)10-17-14-9-12(15(20)21)11-3-1-2-4-13(11)18-14/h1-4,9,19H,5-8,10H2,(H,17,18)(H,20,21).
What are the key properties of 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid?
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid is sourced from PubChem (CID 114756945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).