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

C25H18FN3O4 — CID 25225641

IUPAC6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid
SMILESCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4ccccc4[nH]c3=O)c2cc1F
InChIInChI=1S/C25H18FN3O4/c1-13-9-17-20(11-18(13)26)29(12-15-10-14-5-2-3-7-19(14)28-23(15)30)22(25(32)33)21(17)16-6-4-8-27-24(16)31/h2-11H,12H2,1H3,(H,27,31)(H,28,30)(H,32,33)
InChIKeyXUIBBVRKIVNHJV-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.03
Rot. Bonds4

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

6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid (PubChem CID 25225641) has the molecular formula C25H18FN3O4 and a molecular weight of 443.43 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid
PubChem CID25225641
Molecular FormulaC25H18FN3O4
Molecular Weight443.43 g/mol
Exact Mass443.13
IUPAC Name6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid
SMILESCc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4ccccc4[nH]c3=O)c2cc1F
InChIInChI=1S/C25H18FN3O4/c1-13-9-17-20(11-18(13)26)29(12-15-10-14-5-2-3-7-19(14)28-23(15)30)22(25(32)33)21(17)16-6-4-8-27-24(16)31/h2-11H,12H2,1H3,(H,27,31)(H,28,30)(H,32,33)
InChIKeyXUIBBVRKIVNHJV-UHFFFAOYSA-N
XLogP4.03
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid?
The IUPAC name of 6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid (CID 25225641) is 6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid is Cc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4ccccc4[nH]c3=O)c2cc1F.
What is the InChIKey of 6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid?
The InChIKey is XUIBBVRKIVNHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O4/c1-13-9-17-20(11-18(13)26)29(12-15-10-14-5-2-3-7-19(14)28-23(15)30)22(25(32)33)21(17)16-6-4-8-27-24(16)31/h2-11H,12H2,1H3,(H,27,31)(H,28,30)(H,32,33).
What are the key properties of 6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid?
6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid has a molecular weight of 443.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-1-[(2-oxo-1H-quinolin-3-yl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 25225641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).