methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate

C18H17N3O4 — CID 3240298

IUPACmethanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
SMILESCO.COC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C17H13N3O3.CH4O/c1-23-17(22)15-8-4-7-14(20-15)16(21)19-12-9-11-5-2-3-6-13(11)18-10-12;1-2/h2-10H,1H3,(H,19,21);2H,1H3
InChIKeyPXNIURDPCADZNO-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.28
Rot. Bonds3

About methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate

methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate (PubChem CID 3240298) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
PubChem CID3240298
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namemethanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
SMILESCO.COC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C17H13N3O3.CH4O/c1-23-17(22)15-8-4-7-14(20-15)16(21)19-12-9-11-5-2-3-6-13(11)18-10-12;1-2/h2-10H,1H3,(H,19,21);2H,1H3
InChIKeyPXNIURDPCADZNO-UHFFFAOYSA-N
XLogP2.28
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate (CID 3240298) is methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate is CO.COC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1.
What is the InChIKey of methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is PXNIURDPCADZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3.CH4O/c1-23-17(22)15-8-4-7-14(20-15)16(21)19-12-9-11-5-2-3-6-13(11)18-10-12;1-2/h2-10H,1H3,(H,19,21);2H,1H3.
What are the key properties of methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 3240298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).