methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate

C13H14N2O3 — CID 142731581

IUPACmethyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate
SMILESCCn1c(=O)c(C(=O)OC)cc2c(N)cccc21
InChIInChI=1S/C13H14N2O3/c1-3-15-11-6-4-5-10(14)8(11)7-9(12(15)16)13(17)18-2/h4-7H,3,14H2,1-2H3
InChIKeyQLCRJLAQDMJSSD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.39
Rot. Bonds2

About methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate

methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate (PubChem CID 142731581) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate
PubChem CID142731581
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate
SMILESCCn1c(=O)c(C(=O)OC)cc2c(N)cccc21
InChIInChI=1S/C13H14N2O3/c1-3-15-11-6-4-5-10(14)8(11)7-9(12(15)16)13(17)18-2/h4-7H,3,14H2,1-2H3
InChIKeyQLCRJLAQDMJSSD-UHFFFAOYSA-N
XLogP1.39
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 134146630
methyl 3-amino-2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzoate
CID 115935974
2-(ethoxymethyl)-1-ethylindol-4-amine
CID 117173980
1-ethyl-2-(methylsulfonylmethyl)indol-4-amine
CID 117173779
1,3-diethyl-6-methoxycarbonyl-2-oxobenzimidazole-5-carboxylic acid
CID 139906989
methyl 1-[2-(4-methoxyphenyl)ethyl]-5-nitro-2-oxoquinoline-3-carboxylate
CID 142731603
methyl 3-amino-2-(3-ethylphenoxy)benzoate
CID 115935681
methyl 5-nitro-2-oxo-1-[(4-propan-2-ylphenyl)methyl]quinoline-3-carboxylate
CID 134144805
methyl 2-(1-ethyl-4-methylindol-2-yl)-2-hydroxyacetate
CID 115071961
methyl 2-amino-2-(1-ethyl-4-methylindol-2-yl)acetate
CID 115071957
1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine
CID 117173982
methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
CID 118658750

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate (CID 142731581) is methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate is CCn1c(=O)c(C(=O)OC)cc2c(N)cccc21.
What is the InChIKey of methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate?
The InChIKey is QLCRJLAQDMJSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-15-11-6-4-5-10(14)8(11)7-9(12(15)16)13(17)18-2/h4-7H,3,14H2,1-2H3.
What are the key properties of methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate?
methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-ethyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 142731581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).