2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid

C19H16N2O4 — CID 11024164

IUPAC2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid
SMILESCOc1ccc(CN2C(=O)C(C(C#N)C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O4/c1-25-13-8-6-12(7-9-13)11-21-16-5-3-2-4-14(16)17(18(21)22)15(10-20)19(23)24/h2-9,15,17H,11H2,1H3,(H,23,24)
InChIKeyWQOOQYVVSGPCTR-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.55
Rot. Bonds5

About 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid

2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid (PubChem CID 11024164) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid
PubChem CID11024164
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid
SMILESCOc1ccc(CN2C(=O)C(C(C#N)C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O4/c1-25-13-8-6-12(7-9-13)11-21-16-5-3-2-4-14(16)17(18(21)22)15(10-20)19(23)24/h2-9,15,17H,11H2,1H3,(H,23,24)
InChIKeyWQOOQYVVSGPCTR-UHFFFAOYSA-N
XLogP2.55
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid with MolForge

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Related Compounds

2-(3-methoxyphenyl)-3-oxo-1-prop-2-enyl-1H-isoindole-4-carboxylic acid
CID 2943611
2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 5309875
N,N-diethyl-1,2-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9550549
Cyano-[5-fluoro-1-(4-methoxy-benzyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-acetic acid
CID 10959153
methyl (E)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-5-yl]prop-2-enoate
CID 73212595
2-(4-Methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carbonitrile
CID 3542110
1''-cyclooctylmethyl-1-(4-methoxybenzyl)spiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 44404653
Methyl 3-[6-[(4-methoxyphenyl)-methylcarbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
CID 71449996
Methyl 3-[6-[butyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoate;hydrochloride
CID 71453641
3-[4-[Ethyl(methyl)carbamoyl]oxy-1-methyl-2,3-dihydroindol-3-yl]propanoic acid;hydrochloride
CID 71459008
Cyano-(5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-acetic acid
CID 44280466
3-[Bis(4-hydroxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]indol-2-one
CID 122178445

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid?
The IUPAC name of 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid (CID 11024164) is 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid?
The canonical SMILES for 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid is COc1ccc(CN2C(=O)C(C(C#N)C(=O)O)c3ccccc32)cc1.
What is the InChIKey of 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid?
The InChIKey is WQOOQYVVSGPCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-13-8-6-12(7-9-13)11-21-16-5-3-2-4-14(16)17(18(21)22)15(10-20)19(23)24/h2-9,15,17H,11H2,1H3,(H,23,24).
What are the key properties of 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid?
2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid has a molecular weight of 336.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetic acid is sourced from PubChem (CID 11024164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).