2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate

C17H14N2O3 — CID 54142330

IUPAC2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate
SMILESO=C(OCCO)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C17H14N2O3/c20-9-10-22-17(21)13-11-16(15-7-3-4-8-18-15)19-14-6-2-1-5-12(13)14/h1-8,11,20H,9-10H2
InChIKeyOBYUAMGFRXQWGJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.45
Rot. Bonds4

About 2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate

2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate (PubChem CID 54142330) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate
PubChem CID54142330
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate
SMILESO=C(OCCO)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C17H14N2O3/c20-9-10-22-17(21)13-11-16(15-7-3-4-8-18-15)19-14-6-2-1-5-12(13)14/h1-8,11,20H,9-10H2
InChIKeyOBYUAMGFRXQWGJ-UHFFFAOYSA-N
XLogP2.45
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-bromophenyl)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23736695
hexyl 2-(4-octoxycarbonylquinolin-2-yl)quinoline-4-carboxylate
CID 3428854
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23736786
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23826857
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
4-chlorobutyl 2-phenylquinoline-4-carboxylate
CID 166607303
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23931100
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N'-(2-naphthalen-1-ylacetyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 42386438
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 2420567
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate?
The IUPAC name of 2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate (CID 54142330) is 2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate?
The canonical SMILES for 2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate is O=C(OCCO)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of 2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate?
The InChIKey is OBYUAMGFRXQWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-9-10-22-17(21)13-11-16(15-7-3-4-8-18-15)19-14-6-2-1-5-12(13)14/h1-8,11,20H,9-10H2.
What are the key properties of 2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate?
2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-pyridin-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 54142330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).