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6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid

C26H20FN3O5 — CID 143773986

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
SMILESCOc1ccc2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4cc(C)c(F)cc43)c(=O)[nH]c2c1
InChIInChI=1S/C26H20FN3O5/c1-13-8-18-21(11-19(13)27)30(23(26(33)34)22(18)17-4-3-7-28-25(17)32)12-15-9-14-5-6-16(35-2)10-20(14)29-24(15)31/h3-11H,12H2,1-2H3,(H,28,32)(H,29,31)(H,33,34)
InChIKeyNZUPUCPYTQJUKP-UHFFFAOYSA-N
MW473.46 g/mol
LogP4.04
Rot. Bonds5

About 6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid

6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid (PubChem CID 143773986) has the molecular formula C26H20FN3O5 and a molecular weight of 473.46 g/mol. Its IUPAC name is 6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
PubChem CID143773986
Molecular FormulaC26H20FN3O5
Molecular Weight473.46 g/mol
Exact Mass473.14
IUPAC Name6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
SMILESCOc1ccc2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4cc(C)c(F)cc43)c(=O)[nH]c2c1
InChIInChI=1S/C26H20FN3O5/c1-13-8-18-21(11-19(13)27)30(23(26(33)34)22(18)17-4-3-7-28-25(17)32)12-15-9-14-5-6-16(35-2)10-20(14)29-24(15)31/h3-11H,12H2,1-2H3,(H,28,32)(H,29,31)(H,33,34)
InChIKeyNZUPUCPYTQJUKP-UHFFFAOYSA-N
XLogP4.04
TPSA117.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
The IUPAC name of 6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid (CID 143773986) is 6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid is COc1ccc2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4cc(C)c(F)cc43)c(=O)[nH]c2c1.
What is the InChIKey of 6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
The InChIKey is NZUPUCPYTQJUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O5/c1-13-8-18-21(11-19(13)27)30(23(26(33)34)22(18)17-4-3-7-28-25(17)32)12-15-9-14-5-6-16(35-2)10-20(14)29-24(15)31/h3-11H,12H2,1-2H3,(H,28,32)(H,29,31)(H,33,34).
What are the key properties of 6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid has a molecular weight of 473.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid is sourced from PubChem (CID 143773986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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