1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid

C26H18ClF2N3O3 — CID 25225425

IUPAC1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cnc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C26H18ClF2N3O3/c1-2-13-5-6-20-17(8-13)21(16-4-3-7-30-25(16)33)24(26(34)35)32(20)12-14-11-31-19-10-15(28)9-18(29)22(19)23(14)27/h3-11H,2,12H2,1H3,(H,30,33)(H,34,35)
InChIKeySOQGOOFBZURORX-UHFFFAOYSA-N
MW493.90 g/mol
LogP5.79
Rot. Bonds5

About 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid

1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid (PubChem CID 25225425) has the molecular formula C26H18ClF2N3O3 and a molecular weight of 493.90 g/mol. Its IUPAC name is 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
PubChem CID25225425
Molecular FormulaC26H18ClF2N3O3
Molecular Weight493.90 g/mol
Exact Mass493.10
IUPAC Name1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cnc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C26H18ClF2N3O3/c1-2-13-5-6-20-17(8-13)21(16-4-3-7-30-25(16)33)24(26(34)35)32(20)12-14-11-31-19-10-15(28)9-18(29)22(19)23(14)27/h3-11H,2,12H2,1H3,(H,30,33)(H,34,35)
InChIKeySOQGOOFBZURORX-UHFFFAOYSA-N
XLogP5.79
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.90
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
The IUPAC name of 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid (CID 25225425) is 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid.
What is the SMILES notation for 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
The canonical SMILES for 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid is CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cnc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
The InChIKey is SOQGOOFBZURORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF2N3O3/c1-2-13-5-6-20-17(8-13)21(16-4-3-7-30-25(16)33)24(26(34)35)32(20)12-14-11-31-19-10-15(28)9-18(29)22(19)23(14)27/h3-11H,2,12H2,1H3,(H,30,33)(H,34,35).
What are the key properties of 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid?
1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid has a molecular weight of 493.90 g/mol, XLogP of 5.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-5,7-difluoroquinolin-3-yl)methyl]-5-ethyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid is sourced from PubChem (CID 25225425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).