methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate

C20H18N2O4 — CID 110331037

IUPACmethyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C20H18N2O4/c1-26-20(25)15-6-4-7-16(12-15)21-18(23)10-9-14-11-13-5-2-3-8-17(13)22-19(14)24/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyCOJKIPYZDJSOPD-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.89
Rot. Bonds5

About methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate

methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate (PubChem CID 110331037) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
PubChem CID110331037
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C20H18N2O4/c1-26-20(25)15-6-4-7-16(12-15)21-18(23)10-9-14-11-13-5-2-3-8-17(13)22-19(14)24/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyCOJKIPYZDJSOPD-UHFFFAOYSA-N
XLogP2.89
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110354113
methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate
CID 75403102
3-(2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331033
N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110355986
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110331249
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331047
N-(5-chloro-2-methoxyphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110356008
N-(5-methyl-1,2-oxazol-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331051
N-(3-fluorophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331277
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
ethyl 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426633
N-(3-cyanophenyl)-3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110299012

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The IUPAC name of methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate (CID 110331037) is methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate.
What is the SMILES notation for methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The canonical SMILES for methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate is COC(=O)c1cccc(NC(=O)CCc2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
The InChIKey is COJKIPYZDJSOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-26-20(25)15-6-4-7-16(12-15)21-18(23)10-9-14-11-13-5-2-3-8-17(13)22-19(14)24/h2-8,11-12H,9-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate?
methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate has a molecular weight of 350.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate is sourced from PubChem (CID 110331037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).