5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C51H46N6O11 — CID 118950989

IUPAC5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3ncccc3c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2C)c1
InChIInChI=1S/C17H16N2O4.C17H14N2O4.C17H16N2O3/c1-3-11-14(18-16(21)13(15(11)20)17(22)23)10-4-5-12-9(8-10)6-7-19(12)2;1-2-11-14(19-16(21)13(15(11)20)17(22)23)10-5-6-12-9(8-10)4-3-7-18-12;1-3-10-9-13(17(21)22)16(20)18-15(10)12-4-5-14-11(8-12)6-7-19(14)2/h4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21);3-8H,2H2,1H3,(H,22,23)(H2,19,20,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyRZKGRPPYZLWBBG-UHFFFAOYSA-N
MW918.96 g/mol
LogP7.85
Rot. Bonds9

About 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118950989) has the molecular formula C51H46N6O11 and a molecular weight of 918.96 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118950989
Molecular FormulaC51H46N6O11
Molecular Weight918.96 g/mol
Exact Mass918.32
IUPAC Name5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3ncccc3c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2C)c1
InChIInChI=1S/C17H16N2O4.C17H14N2O4.C17H16N2O3/c1-3-11-14(18-16(21)13(15(11)20)17(22)23)10-4-5-12-9(8-10)6-7-19(12)2;1-2-11-14(19-16(21)13(15(11)20)17(22)23)10-5-6-12-9(8-10)4-3-7-18-12;1-3-10-9-13(17(21)22)16(20)18-15(10)12-4-5-14-11(8-12)6-7-19(14)2/h4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21);3-8H,2H2,1H3,(H,22,23)(H2,19,20,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyRZKGRPPYZLWBBG-UHFFFAOYSA-N
XLogP7.85
TPSA273.69 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500918.96
LogP ≤ 57.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 118950989) is 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3ncccc3c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2C)c1.
What is the InChIKey of 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is RZKGRPPYZLWBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4.C17H14N2O4.C17H16N2O3/c1-3-11-14(18-16(21)13(15(11)20)17(22)23)10-4-5-12-9(8-10)6-7-19(12)2;1-2-11-14(19-16(21)13(15(11)20)17(22)23)10-5-6-12-9(8-10)4-3-7-18-12;1-3-10-9-13(17(21)22)16(20)18-15(10)12-4-5-14-11(8-12)6-7-19(14)2/h4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21);3-8H,2H2,1H3,(H,22,23)(H2,19,20,21);4-9H,3H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 918.96 g/mol, XLogP of 7.85, 9 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118950989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).