methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate

C19H18N2O4 — CID 70129962

IUPACmethyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H18N2O4/c1-25-17(22)12-21-16-10-6-5-9-14(16)11-15(19(21)24)20-18(23)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H,20,23)
InChIKeyXPBPHSYKWFYAJH-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.55
Rot. Bonds4

About methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate

methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate (PubChem CID 70129962) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate
PubChem CID70129962
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(NC(=O)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C19H18N2O4/c1-25-17(22)12-21-16-10-6-5-9-14(16)11-15(19(21)24)20-18(23)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H,20,23)
InChIKeyXPBPHSYKWFYAJH-UHFFFAOYSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
The IUPAC name of methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate (CID 70129962) is methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate is COC(=O)CN1C(=O)C(NC(=O)c2ccccc2)Cc2ccccc21.
What is the InChIKey of methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
The InChIKey is XPBPHSYKWFYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-17(22)12-21-16-10-6-5-9-14(16)11-15(19(21)24)20-18(23)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H,20,23).
What are the key properties of methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate?
methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate has a molecular weight of 338.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-benzamido-2-oxo-3,4-dihydroquinolin-1-yl)acetate is sourced from PubChem (CID 70129962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).