2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid

C18H23N3O2 — CID 50806128

IUPAC2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid
SMILESCC1CCCCN1CCNc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C18H23N3O2/c1-13-6-4-5-10-21(13)11-9-19-17-12-15(18(22)23)14-7-2-3-8-16(14)20-17/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,19,20)(H,22,23)
InChIKeyGZTLSWBDSKLMJI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.22
Rot. Bonds5

About 2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid

2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid (PubChem CID 50806128) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid
PubChem CID50806128
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid
SMILESCC1CCCCN1CCNc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C18H23N3O2/c1-13-6-4-5-10-21(13)11-9-19-17-12-15(18(22)23)14-7-2-3-8-16(14)20-17/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,19,20)(H,22,23)
InChIKeyGZTLSWBDSKLMJI-UHFFFAOYSA-N
XLogP3.22
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
2-[3-[cyclohexyl(methyl)amino]propylamino]quinoline-4-carboxylic acid
CID 50805947
2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid
CID 113463887
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-(5-bromothiophen-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 15993577
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749495
2-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 81273437
N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
CID 133454577
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
6-N,2-dimethyl-4-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-4,6-diamine
CID 80785894
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51949127
2-(but-2-ynylamino)quinoline-4-carboxylic acid
CID 113464681

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid?
The IUPAC name of 2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid (CID 50806128) is 2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid is CC1CCCCN1CCNc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid?
The InChIKey is GZTLSWBDSKLMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-4-5-10-21(13)11-9-19-17-12-15(18(22)23)14-7-2-3-8-16(14)20-17/h2-3,7-8,12-13H,4-6,9-11H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid?
2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpiperidin-1-yl)ethylamino]quinoline-4-carboxylic acid is sourced from PubChem (CID 50806128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).