(2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate

C15H10ClN3O2 — CID 7594601

IUPAC(2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate
SMILESO=C(OCc1cc2ccccc2nc1Cl)c1cnccn1
InChIInChI=1S/C15H10ClN3O2/c16-14-11(7-10-3-1-2-4-12(10)19-14)9-21-15(20)13-8-17-5-6-18-13/h1-8H,9H2
InChIKeyUVLNOJXMMNMJTG-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.04
Rot. Bonds3

About (2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate

(2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate (PubChem CID 7594601) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate
PubChem CID7594601
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name(2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate
SMILESO=C(OCc1cc2ccccc2nc1Cl)c1cnccn1
InChIInChI=1S/C15H10ClN3O2/c16-14-11(7-10-3-1-2-4-12(10)19-14)9-21-15(20)13-8-17-5-6-18-13/h1-8H,9H2
InChIKeyUVLNOJXMMNMJTG-UHFFFAOYSA-N
XLogP3.04
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-7-methylsulfanylquinolin-3-yl)methyl pyrazine-2-carboxylate
CID 7432801
(2-chloroquinolin-3-yl)methyl 5-methylpyrazine-2-carboxylate
CID 7594610
(2-chloro-7-methylsulfanylquinolin-3-yl)methyl quinoline-2-carboxylate
CID 7433982
(2-chloroquinolin-3-yl)methyl (2R)-2-(4-fluorophenoxy)propanoate
CID 9487283
(2-chloroquinolin-3-yl)methyl (2S)-2-(4-fluorophenoxy)propanoate
CID 9487282
(2-chloroquinolin-3-yl)methyl 2-(4-fluorophenoxy)acetate
CID 9458328
(2-chloroquinolin-3-yl)methyl 4-(difluoromethylsulfonyl)benzoate
CID 9457780
(2-chloroquinolin-3-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8507914
(2-chloroquinolin-3-yl)methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 9487229
(2-chloroquinolin-3-yl)methyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701547
(2-chloroquinolin-3-yl)methyl 4-(diethylsulfamoyl)benzoate
CID 46810230
(2-chloroquinolin-3-yl)methyl 3-(methanesulfonamido)benzoate
CID 16558833

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate?
The IUPAC name of (2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate (CID 7594601) is (2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate.
What is the SMILES notation for (2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate?
The canonical SMILES for (2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate is O=C(OCc1cc2ccccc2nc1Cl)c1cnccn1.
What is the InChIKey of (2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate?
The InChIKey is UVLNOJXMMNMJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-14-11(7-10-3-1-2-4-12(10)19-14)9-21-15(20)13-8-17-5-6-18-13/h1-8H,9H2.
What are the key properties of (2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate?
(2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate has a molecular weight of 299.72 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate is sourced from PubChem (CID 7594601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).