(3-chlorophenyl)methyl quinoxaline-6-carboxylate

C16H11ClN2O2 — CID 7677097

IUPAC(3-chlorophenyl)methyl quinoxaline-6-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1ccc2nccnc2c1
InChIInChI=1S/C16H11ClN2O2/c17-13-3-1-2-11(8-13)10-21-16(20)12-4-5-14-15(9-12)19-7-6-18-14/h1-9H,10H2
InChIKeyOGMAKGFITPLYKS-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.64
Rot. Bonds3

About (3-chlorophenyl)methyl quinoxaline-6-carboxylate

(3-chlorophenyl)methyl quinoxaline-6-carboxylate (PubChem CID 7677097) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is (3-chlorophenyl)methyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl quinoxaline-6-carboxylate
PubChem CID7677097
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name(3-chlorophenyl)methyl quinoxaline-6-carboxylate
SMILESO=C(OCc1cccc(Cl)c1)c1ccc2nccnc2c1
InChIInChI=1S/C16H11ClN2O2/c17-13-3-1-2-11(8-13)10-21-16(20)12-4-5-14-15(9-12)19-7-6-18-14/h1-9H,10H2
InChIKeyOGMAKGFITPLYKS-UHFFFAOYSA-N
XLogP3.64
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dichlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677110
(3-chlorophenyl)methyl 3-(aminomethyl)benzoate
CID 65127479
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
(3-chlorophenyl)methyl 3-methoxybenzoate
CID 91715053
(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 65124799
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320679
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
4-O-[(3-chlorophenyl)methyl] 1-O-pentyl benzene-1,4-dicarboxylate
CID 91735460
[2-(2,6-dichloroanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677317
(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
CID 115885965
(3-chlorophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275062

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl quinoxaline-6-carboxylate?
The IUPAC name of (3-chlorophenyl)methyl quinoxaline-6-carboxylate (CID 7677097) is (3-chlorophenyl)methyl quinoxaline-6-carboxylate.
What is the SMILES notation for (3-chlorophenyl)methyl quinoxaline-6-carboxylate?
The canonical SMILES for (3-chlorophenyl)methyl quinoxaline-6-carboxylate is O=C(OCc1cccc(Cl)c1)c1ccc2nccnc2c1.
What is the InChIKey of (3-chlorophenyl)methyl quinoxaline-6-carboxylate?
The InChIKey is OGMAKGFITPLYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-13-3-1-2-11(8-13)10-21-16(20)12-4-5-14-15(9-12)19-7-6-18-14/h1-9H,10H2.
What are the key properties of (3-chlorophenyl)methyl quinoxaline-6-carboxylate?
(3-chlorophenyl)methyl quinoxaline-6-carboxylate has a molecular weight of 298.73 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl quinoxaline-6-carboxylate is sourced from PubChem (CID 7677097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).