(8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate

C17H14N2O3 — CID 664385

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate
SMILESCc1cccc2cc(COC(=O)c3ccccn3)c(=O)[nH]c12
InChIInChI=1S/C17H14N2O3/c1-11-5-4-6-12-9-13(16(20)19-15(11)12)10-22-17(21)14-7-2-3-8-18-14/h2-9H,10H2,1H3,(H,19,20)
InChIKeyPBFWEIADECNSIP-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.59
Rot. Bonds3

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate (PubChem CID 664385) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate
PubChem CID664385
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate
SMILESCc1cccc2cc(COC(=O)c3ccccn3)c(=O)[nH]c12
InChIInChI=1S/C17H14N2O3/c1-11-5-4-6-12-9-13(16(20)19-15(11)12)10-22-17(21)14-7-2-3-8-18-14/h2-9H,10H2,1H3,(H,19,20)
InChIKeyPBFWEIADECNSIP-UHFFFAOYSA-N
XLogP2.59
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Naphthalen-1-ylamino)-2-oxoethyl pyridine-2-carboxylate
CID 900761
[2-(3-Acetylanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088687
[2-(4-Acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2357468
(2-Benzamido-2-oxoethyl) pyridine-2-carboxylate
CID 7477399
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl pyridine-3-carboxylate
CID 663730
(6-Methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl pyridine-2-carboxylate
CID 665088
(7-Methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl pyridine-4-carboxylate
CID 663770
Pyridine-2-carboxylic acid benzylcarbamoyl-methyl ester
CID 2351947
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 24687195
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl pyridine-2-carboxylate
CID 665059
Ethyl 2-((3-pyridinylcarbonyl)amino)benzoate
CID 771966
Ethyl 4-[(3-pyridinylcarbonyl)amino]-2-pyridinecarboxylate
CID 901912

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate (CID 664385) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate is Cc1cccc2cc(COC(=O)c3ccccn3)c(=O)[nH]c12.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate?
The InChIKey is PBFWEIADECNSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-5-4-6-12-9-13(16(20)19-15(11)12)10-22-17(21)14-7-2-3-8-18-14/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate is sourced from PubChem (CID 664385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).