2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate

C22H17N3O2 — CID 167848247

IUPAC2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate
SMILESO=C(OCCc1cccc2ncccc12)c1cccc(-c2ccncc2)n1
InChIInChI=1S/C22H17N3O2/c26-22(21-8-2-6-19(25-21)17-9-13-23-14-10-17)27-15-11-16-4-1-7-20-18(16)5-3-12-24-20/h1-10,12-14H,11,15H2
InChIKeyDYNIDUZZJYJLII-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.09
Rot. Bonds5

About 2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate

2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate (PubChem CID 167848247) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate.

Molecular Properties

Compound Name2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate
PubChem CID167848247
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate
SMILESO=C(OCCc1cccc2ncccc12)c1cccc(-c2ccncc2)n1
InChIInChI=1S/C22H17N3O2/c26-22(21-8-2-6-19(25-21)17-9-13-23-14-10-17)27-15-11-16-4-1-7-20-18(16)5-3-12-24-20/h1-10,12-14H,11,15H2
InChIKeyDYNIDUZZJYJLII-UHFFFAOYSA-N
XLogP4.09
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422
methyl 6-pyridin-4-ylpyridine-2-carboxylate
CID 46317482
3-quinolin-5-ylpropanoic acid
CID 81224223
2-methylpropyl 6-(4-aminoquinolin-6-yl)pyridine-2-carboxylate
CID 162528221
2-amino-5-quinolin-5-ylpentanamide
CID 174575975
2-pyridin-3-ylethyl quinoline-4-carboxylate
CID 127257423
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
ethane;5-ethylquinoline
CID 143401043
4-(2-pyridin-4-ylethyl)quinoline
CID 70184039
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
N-methyl-2-quinolin-5-ylethanamine
CID 76694367
2-naphthalen-1-ylethyl acetate
CID 592920

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate?
The IUPAC name of 2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate (CID 167848247) is 2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate.
What is the SMILES notation for 2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate?
The canonical SMILES for 2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate is O=C(OCCc1cccc2ncccc12)c1cccc(-c2ccncc2)n1.
What is the InChIKey of 2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate?
The InChIKey is DYNIDUZZJYJLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-22(21-8-2-6-19(25-21)17-9-13-23-14-10-17)27-15-11-16-4-1-7-20-18(16)5-3-12-24-20/h1-10,12-14H,11,15H2.
What are the key properties of 2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate?
2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate has a molecular weight of 355.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-5-ylethyl 6-pyridin-4-ylpyridine-2-carboxylate is sourced from PubChem (CID 167848247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).