(2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate

C17H15N3O3 — CID 56789960

IUPAC(2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate
SMILESCCc1ncncc1C(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H15N3O3/c1-2-14-13(8-18-10-19-14)17(22)23-9-12-7-11-5-3-4-6-15(11)20-16(12)21/h3-8,10H,2,9H2,1H3,(H,20,21)
InChIKeyVWIPWZORJNXPTO-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.24
Rot. Bonds4

About (2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate

(2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate (PubChem CID 56789960) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate
PubChem CID56789960
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate
SMILESCCc1ncncc1C(=O)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H15N3O3/c1-2-14-13(8-18-10-19-14)17(22)23-9-12-7-11-5-3-4-6-15(11)20-16(12)21/h3-8,10H,2,9H2,1H3,(H,20,21)
InChIKeyVWIPWZORJNXPTO-UHFFFAOYSA-N
XLogP2.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate (CID 56789960) is (2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate is CCc1ncncc1C(=O)OCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate?
The InChIKey is VWIPWZORJNXPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-2-14-13(8-18-10-19-14)17(22)23-9-12-7-11-5-3-4-6-15(11)20-16(12)21/h3-8,10H,2,9H2,1H3,(H,20,21).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate?
(2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl 4-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 56789960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).