methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate

C18H15NO3 — CID 154227733

IUPACmethyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c2ccccc2n(C)c1=O
InChIInChI=1S/C18H15NO3/c1-19-14-11-7-6-10-13(14)15(12-8-4-3-5-9-12)16(17(19)20)18(21)22-2/h3-11H,1-2H3
InChIKeyDXJADUZTUPMHKD-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.99
Rot. Bonds2

About methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate

methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate (PubChem CID 154227733) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
PubChem CID154227733
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c2ccccc2n(C)c1=O
InChIInChI=1S/C18H15NO3/c1-19-14-11-7-6-10-13(14)15(12-8-4-3-5-9-12)16(17(19)20)18(21)22-2/h3-11H,1-2H3
InChIKeyDXJADUZTUPMHKD-UHFFFAOYSA-N
XLogP2.99
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate (CID 154227733) is methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate is COC(=O)c1c(-c2ccccc2)c2ccccc2n(C)c1=O.
What is the InChIKey of methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate?
The InChIKey is DXJADUZTUPMHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-19-14-11-7-6-10-13(14)15(12-8-4-3-5-9-12)16(17(19)20)18(21)22-2/h3-11H,1-2H3.
What are the key properties of methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate?
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 154227733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).