methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate

C20H13ClN2O2 — CID 15428527

IUPACmethyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(-c3ccc4cc(Cl)cnc4n3)ccc2c1
InChIInChI=1S/C20H13ClN2O2/c1-25-20(24)16-5-3-12-8-14(4-2-13(12)9-16)18-7-6-15-10-17(21)11-22-19(15)23-18/h2-11H,1H3
InChIKeyCPRITUYZOSVTOW-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.89
Rot. Bonds2

About methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate

methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate (PubChem CID 15428527) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate
PubChem CID15428527
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Namemethyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(-c3ccc4cc(Cl)cnc4n3)ccc2c1
InChIInChI=1S/C20H13ClN2O2/c1-25-20(24)16-5-3-12-8-14(4-2-13(12)9-16)18-7-6-15-10-17(21)11-22-19(15)23-18/h2-11H,1H3
InChIKeyCPRITUYZOSVTOW-UHFFFAOYSA-N
XLogP4.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate?
The IUPAC name of methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate (CID 15428527) is methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate is COC(=O)c1ccc2cc(-c3ccc4cc(Cl)cnc4n3)ccc2c1.
What is the InChIKey of methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate?
The InChIKey is CPRITUYZOSVTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c1-25-20(24)16-5-3-12-8-14(4-2-13(12)9-16)18-7-6-15-10-17(21)11-22-19(15)23-18/h2-11H,1H3.
What are the key properties of methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate?
methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate has a molecular weight of 348.79 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(6-chloro-1,8-naphthyridin-2-yl)naphthalene-2-carboxylate is sourced from PubChem (CID 15428527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).