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

C18H16N2O3 — CID 75403102

IUPACmethyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate
SMILESCOC(=O)c1cccc(NCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C18H16N2O3/c1-23-18(22)13-6-4-7-15(10-13)19-11-14-9-12-5-2-3-8-16(12)20-17(14)21/h2-10,19H,11H2,1H3,(H,20,21)
InChIKeyRQVKHXQZVBLTAJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.93
Rot. Bonds4

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

methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate (PubChem CID 75403102) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate
PubChem CID75403102
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate
SMILESCOC(=O)c1cccc(NCc2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C18H16N2O3/c1-23-18(22)13-6-4-7-15(10-13)19-11-14-9-12-5-2-3-8-16(12)20-17(14)21/h2-10,19H,11H2,1H3,(H,20,21)
InChIKeyRQVKHXQZVBLTAJ-UHFFFAOYSA-N
XLogP2.93
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110331037
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-[[3-[4-(hydroxymethyl)piperidine-1-carbonyl]anilino]methyl]-1H-quinolin-2-one
CID 166195599
3-[[3-[[(R)-methylsulfinyl]methyl]anilino]methyl]-1H-quinolin-2-one
CID 97236761
(2-oxo-1H-quinolin-3-yl)methyl 3-(methoxymethyl)benzoate
CID 56789957
methyl 3-[(2-ethoxyphenyl)methylamino]benzoate
CID 43217510
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
6-ethyl-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
CID 25361645
methyl 3-(1H-indol-2-yl)benzoate
CID 44577790
3-(anilinomethyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 75527524
methyl 3-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43217500
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylbenzamide
CID 110324311

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate?
The IUPAC name of methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate (CID 75403102) is methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate.
What is the SMILES notation for methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate?
The canonical SMILES for methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate is COC(=O)c1cccc(NCc2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate?
The InChIKey is RQVKHXQZVBLTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-18(22)13-6-4-7-15(10-13)19-11-14-9-12-5-2-3-8-16(12)20-17(14)21/h2-10,19H,11H2,1H3,(H,20,21).
What are the key properties of methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate?
methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate has a molecular weight of 308.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate is sourced from PubChem (CID 75403102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).