2-pyridin-3-ylethyl quinoline-4-carboxylate

C17H14N2O2 — CID 127257423

IUPAC2-pyridin-3-ylethyl quinoline-4-carboxylate
SMILESO=C(OCCc1cccnc1)c1ccnc2ccccc12
InChIInChI=1S/C17H14N2O2/c20-17(21-11-8-13-4-3-9-18-12-13)15-7-10-19-16-6-2-1-5-14(15)16/h1-7,9-10,12H,8,11H2
InChIKeyPXPIISNEMOFZBK-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.03
Rot. Bonds4

About 2-pyridin-3-ylethyl quinoline-4-carboxylate

2-pyridin-3-ylethyl quinoline-4-carboxylate (PubChem CID 127257423) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-pyridin-3-ylethyl quinoline-4-carboxylate.

Molecular Properties

Compound Name2-pyridin-3-ylethyl quinoline-4-carboxylate
PubChem CID127257423
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-pyridin-3-ylethyl quinoline-4-carboxylate
SMILESO=C(OCCc1cccnc1)c1ccnc2ccccc12
InChIInChI=1S/C17H14N2O2/c20-17(21-11-8-13-4-3-9-18-12-13)15-7-10-19-16-6-2-1-5-14(15)16/h1-7,9-10,12H,8,11H2
InChIKeyPXPIISNEMOFZBK-UHFFFAOYSA-N
XLogP3.03
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-pyridin-3-ylethyl quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422
2-ethenoxyethyl quinoline-4-carboxylate
CID 75521590
2-pyridin-3-ylethyl 5-amino-2-methylpyridine-3-carboxylate
CID 55169977
2-pyridin-3-ylethyl 3-amino-2-methylbenzoate
CID 63262806
pyridine;2-pyridin-3-ylethyl acetate
CID 23213945
N-(2-pyridin-3-ylethyl)quinolin-4-amine
CID 61339909
2-pyridin-3-ylethyl 3-aminothiophene-2-carboxylate
CID 63263035
2-pyridin-3-ylethyl N-(diaminomethylidene)carbamate
CID 142116410
2-pyridin-3-yl-1-quinolin-4-ylethanol
CID 104735699
2-pyridin-3-ylethyl 3-amino-4-bromobenzoate
CID 63263115
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
1-quinolin-4-ylbut-3-yn-1-one
CID 105076388

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylethyl quinoline-4-carboxylate?
The IUPAC name of 2-pyridin-3-ylethyl quinoline-4-carboxylate (CID 127257423) is 2-pyridin-3-ylethyl quinoline-4-carboxylate.
What is the SMILES notation for 2-pyridin-3-ylethyl quinoline-4-carboxylate?
The canonical SMILES for 2-pyridin-3-ylethyl quinoline-4-carboxylate is O=C(OCCc1cccnc1)c1ccnc2ccccc12.
What is the InChIKey of 2-pyridin-3-ylethyl quinoline-4-carboxylate?
The InChIKey is PXPIISNEMOFZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(21-11-8-13-4-3-9-18-12-13)15-7-10-19-16-6-2-1-5-14(15)16/h1-7,9-10,12H,8,11H2.
What are the key properties of 2-pyridin-3-ylethyl quinoline-4-carboxylate?
2-pyridin-3-ylethyl quinoline-4-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylethyl quinoline-4-carboxylate is sourced from PubChem (CID 127257423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).