methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate

C18H15NO4 — CID 134603765

IUPACmethyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc2c1=O
InChIInChI=1S/C18H15NO4/c1-22-18(21)15-10-19-16-8-7-13(9-14(16)17(15)20)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyDHCFSUSXNGCBHK-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.89
Rot. Bonds4

About methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate

methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate (PubChem CID 134603765) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
PubChem CID134603765
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namemethyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
SMILESCOC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc2c1=O
InChIInChI=1S/C18H15NO4/c1-22-18(21)15-10-19-16-8-7-13(9-14(16)17(15)20)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20)
InChIKeyDHCFSUSXNGCBHK-UHFFFAOYSA-N
XLogP2.89
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate (CID 134603765) is methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate is COC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc2c1=O.
What is the InChIKey of methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate?
The InChIKey is DHCFSUSXNGCBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-18(21)15-10-19-16-8-7-13(9-14(16)17(15)20)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate?
methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate is sourced from PubChem (CID 134603765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).