methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate

C17H14N2O2 — CID 142527710

IUPACmethyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cncc3ncc(C)cc23)cc1
InChIInChI=1S/C17H14N2O2/c1-11-7-14-15(9-18-10-16(14)19-8-11)12-3-5-13(6-4-12)17(20)21-2/h3-10H,1-2H3
InChIKeyVJCLZSNVWJQBQX-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.39
Rot. Bonds2

About methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate

methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate (PubChem CID 142527710) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate
PubChem CID142527710
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Namemethyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cncc3ncc(C)cc23)cc1
InChIInChI=1S/C17H14N2O2/c1-11-7-14-15(9-18-10-16(14)19-8-11)12-3-5-13(6-4-12)17(20)21-2/h3-10H,1-2H3
InChIKeyVJCLZSNVWJQBQX-UHFFFAOYSA-N
XLogP3.39
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 4-(2-methylpyrimidin-5-yl)benzoate
CID 90375403
methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol
CID 158164435
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-[4-(5-ethoxy-3-pyridinyl)phenyl]benzoate
CID 171698039
methyl 4-(2-methylphenanthridin-6-yl)benzoate
CID 134946434
methyl 4-(2,5-dimethylfuran-3-yl)benzoate
CID 102481720
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
methyl 3-chloro-4-methylquinoline-6-carboxylate
CID 67961110
methyl 4-quinazolin-2-ylbenzoate
CID 156769419
methyl 4-[2-hexoxy-3-(4-methoxycarbonylphenyl)-5-(4-methylphenyl)phenyl]benzoate
CID 118119633

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate?
The IUPAC name of methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate (CID 142527710) is methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate.
What is the SMILES notation for methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate?
The canonical SMILES for methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate is COC(=O)c1ccc(-c2cncc3ncc(C)cc23)cc1.
What is the InChIKey of methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate?
The InChIKey is VJCLZSNVWJQBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-7-14-15(9-18-10-16(14)19-8-11)12-3-5-13(6-4-12)17(20)21-2/h3-10H,1-2H3.
What are the key properties of methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate?
methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate has a molecular weight of 278.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methyl-1,7-naphthyridin-5-yl)benzoate is sourced from PubChem (CID 142527710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).