1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

C15H18N2O4 — CID 102711329

IUPAC1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESCCN(C)C(=O)CN1C(=O)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H18N2O4/c1-3-16(2)14(19)9-17-12-6-4-11(15(20)21)8-10(12)5-7-13(17)18/h4,6,8H,3,5,7,9H2,1-2H3,(H,20,21)
InChIKeyUBOOLBWZJCHHGO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.14
Rot. Bonds4

About 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid

1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 102711329) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID102711329
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
SMILESCCN(C)C(=O)CN1C(=O)CCc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H18N2O4/c1-3-16(2)14(19)9-17-12-6-4-11(15(20)21)8-10(12)5-7-13(17)18/h4,6,8H,3,5,7,9H2,1-2H3,(H,20,21)
InChIKeyUBOOLBWZJCHHGO-UHFFFAOYSA-N
XLogP1.14
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hexyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711273
1-(2-fluoroethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711321
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711328
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488262
2-oxo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711309
1-(4-cyanobutyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711347
2-oxo-1-(pyridin-4-ylmethyl)-3,4-dihydroquinoline-6-carboxylic acid
CID 102711258
1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711326
1-(2-methylprop-2-enyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711163
1-[[1-(cyanomethyl)cyclopropyl]methyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711268
N-benzyl-N-ethyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3,4-dihydroquinolin-1-yl)acetamide
CID 50794742
1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711155

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid (CID 102711329) is 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is CCN(C)C(=O)CN1C(=O)CCc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is UBOOLBWZJCHHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-16(2)14(19)9-17-12-6-4-11(15(20)21)8-10(12)5-7-13(17)18/h4,6,8H,3,5,7,9H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid?
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 102711329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).