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

C51H44N6O10 — CID 118950990

IUPAC5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)Oc2c(CC)c(-c3ccc4ncccc4c3)[nH]c(=O)c2C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2C)c1
InChIInChI=1S/C34H28N4O6.C17H16N2O4/c1-4-18-17-24(31(39)36-28(18)21-9-11-26-20(16-21)12-14-38(26)3)34(43)44-30-23(5-2)29(37-32(40)27(30)33(41)42)22-8-10-25-19(15-22)7-6-13-35-25;1-3-11-14(18-16(21)13(15(11)20)17(22)23)10-4-5-12-9(8-10)6-7-19(12)2/h6-17H,4-5H2,1-3H3,(H,36,39)(H,37,40)(H,41,42);4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21)
InChIKeyKYOSXWYYDBJSOO-UHFFFAOYSA-N
MW900.94 g/mol
LogP7.98
Rot. Bonds10

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

5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118950990) has the molecular formula C51H44N6O10 and a molecular weight of 900.94 g/mol. Its IUPAC name is 5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118950990
Molecular FormulaC51H44N6O10
Molecular Weight900.94 g/mol
Exact Mass900.31
IUPAC Name5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(ccn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)Oc2c(CC)c(-c3ccc4ncccc4c3)[nH]c(=O)c2C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2C)c1
InChIInChI=1S/C34H28N4O6.C17H16N2O4/c1-4-18-17-24(31(39)36-28(18)21-9-11-26-20(16-21)12-14-38(26)3)34(43)44-30-23(5-2)29(37-32(40)27(30)33(41)42)22-8-10-25-19(15-22)7-6-13-35-25;1-3-11-14(18-16(21)13(15(11)20)17(22)23)10-4-5-12-9(8-10)6-7-19(12)2/h6-17H,4-5H2,1-3H3,(H,36,39)(H,37,40)(H,41,42);4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21)
InChIKeyKYOSXWYYDBJSOO-UHFFFAOYSA-N
XLogP7.98
TPSA242.46 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500900.94
LogP ≤ 57.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 118950990) is 5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-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.CCc1cc(C(=O)Oc2c(CC)c(-c3ccc4ncccc4c3)[nH]c(=O)c2C(=O)O)c(=O)[nH]c1-c1ccc2c(ccn2C)c1.
What is the InChIKey of 5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is KYOSXWYYDBJSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N4O6.C17H16N2O4/c1-4-18-17-24(31(39)36-28(18)21-9-11-26-20(16-21)12-14-38(26)3)34(43)44-30-23(5-2)29(37-32(40)27(30)33(41)42)22-8-10-25-19(15-22)7-6-13-35-25;1-3-11-14(18-16(21)13(15(11)20)17(22)23)10-4-5-12-9(8-10)6-7-19(12)2/h6-17H,4-5H2,1-3H3,(H,36,39)(H,37,40)(H,41,42);4-8H,3H2,1-2H3,(H,22,23)(H2,18,20,21).
What are the key properties of 5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 900.94 g/mol, XLogP of 7.98, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[5-ethyl-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carbonyl]oxy-2-oxo-6-quinolin-6-yl-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118950990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).