2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile

C19H13N3O2 — CID 22668287

IUPAC2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile
SMILESN#CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C19H13N3O2/c20-7-8-24-14-5-6-17-13(9-14)11-18(21-17)15-10-12-3-1-2-4-16(12)22-19(15)23/h1-6,9-11,21H,8H2,(H,22,23)
InChIKeyIOGLHQCQPVONID-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.58
Rot. Bonds3

About 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile

2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile (PubChem CID 22668287) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile
PubChem CID22668287
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile
SMILESN#CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C19H13N3O2/c20-7-8-24-14-5-6-17-13(9-14)11-18(21-17)15-10-12-3-1-2-4-16(12)22-19(15)23/h1-6,9-11,21H,8H2,(H,22,23)
InChIKeyIOGLHQCQPVONID-UHFFFAOYSA-N
XLogP3.58
TPSA81.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
3-hydroxy-4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]butanoic acid
CID 11303467
3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
CID 10299900
3-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668240
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
3-[cyclobutyl-[2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]ethyl]amino]propanoic acid
CID 22668289
3-[5-[2-[2-methoxyethyl-[(2-methylpyrimidin-5-yl)methyl]amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668294
3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668323
3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 20696650
N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide
CID 22668226

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile?
The IUPAC name of 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile (CID 22668287) is 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile is N#CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1.
What is the InChIKey of 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile?
The InChIKey is IOGLHQCQPVONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c20-7-8-24-14-5-6-17-13(9-14)11-18(21-17)15-10-12-3-1-2-4-16(12)22-19(15)23/h1-6,9-11,21H,8H2,(H,22,23).
What are the key properties of 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile?
2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile has a molecular weight of 315.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile is sourced from PubChem (CID 22668287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).