(7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate

C17H14N2O3 — CID 663770

IUPAC(7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate
SMILESCc1ccc2cc(COC(=O)c3ccncc3)c(=O)[nH]c2c1
InChIInChI=1S/C17H14N2O3/c1-11-2-3-13-9-14(16(20)19-15(13)8-11)10-22-17(21)12-4-6-18-7-5-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyPHYIKCGPARNHGG-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.59
Rot. Bonds3

About (7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate

(7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate (PubChem CID 663770) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate.

Molecular Properties

Compound Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate
PubChem CID663770
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate
SMILESCc1ccc2cc(COC(=O)c3ccncc3)c(=O)[nH]c2c1
InChIInChI=1S/C17H14N2O3/c1-11-2-3-13-9-14(16(20)19-15(13)8-11)10-22-17(21)12-4-6-18-7-5-12/h2-9H,10H2,1H3,(H,19,20)
InChIKeyPHYIKCGPARNHGG-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

Ethyl 2-morpholin-4-yl-5-(3-pyridylcarbonylamino)benzoate
CID 3162289
4-({[2-(Methoxycarbonyl)phenyl]amino}carbonyl)-1-methylpyridinium
CID 837410
[2-(Naphthalen-1-ylamino)-2-oxoethyl] pyridine-4-carboxylate
CID 2389272
[2-(2,5-Dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2429249
Methyl 2-morpholin-4-yl-5-(pyridine-3-carbonylamino)benzoate
CID 3163529
(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
2-(Benzoylamino)ethyl isonicotinate
CID 2174536
Dimethyl 2-(pyridine-3-carbonylamino)benzene-1,4-dicarboxylate
CID 743331
Methyl 2-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoate
CID 1536390
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-2-carboxylate
CID 664385
Propyl 3-(3-pyridylcarbonylamino)benzoate
CID 1563227

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate?
The IUPAC name of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate (CID 663770) is (7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate.
What is the SMILES notation for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate?
The canonical SMILES for (7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate is Cc1ccc2cc(COC(=O)c3ccncc3)c(=O)[nH]c2c1.
What is the InChIKey of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate?
The InChIKey is PHYIKCGPARNHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-2-3-13-9-14(16(20)19-15(13)8-11)10-22-17(21)12-4-6-18-7-5-12/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of (7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate?
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-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 (7-methyl-2-oxo-1H-quinolin-3-yl)methyl pyridine-4-carboxylate is sourced from PubChem (CID 663770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).