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

C17H13N3O3 — CID 3240299

IUPACmethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C17H13N3O3/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/h2-10H,1H3,(H,19,21)
InChIKeyRNCYDRXJHZSNPP-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.67
Rot. Bonds3

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

methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate (PubChem CID 3240299) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
PubChem CID3240299
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Namemethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C17H13N3O3/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/h2-10H,1H3,(H,19,21)
InChIKeyRNCYDRXJHZSNPP-UHFFFAOYSA-N
XLogP2.67
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate (CID 3240299) is methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2cnc3ccccc3c2)n1.
What is the InChIKey of methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is RNCYDRXJHZSNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/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/h2-10H,1H3,(H,19,21).
What are the key properties of methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate?
methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 3240299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).