2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid

C18H16N2O3 — CID 91536921

IUPAC2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
SMILESCc1cccc2c1C(/C=N/c1ccc(CC(=O)O)cc1)C(=O)N2
InChIInChI=1S/C18H16N2O3/c1-11-3-2-4-15-17(11)14(18(23)20-15)10-19-13-7-5-12(6-8-13)9-16(21)22/h2-8,10,14H,9H2,1H3,(H,20,23)(H,21,22)/b19-10+
InChIKeyJJWBXTBVGRMDRG-VXLYETTFSA-N
MW308.34 g/mol
LogP3.06
Rot. Bonds4

About 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid

2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid (PubChem CID 91536921) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
PubChem CID91536921
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
SMILESCc1cccc2c1C(/C=N/c1ccc(CC(=O)O)cc1)C(=O)N2
InChIInChI=1S/C18H16N2O3/c1-11-3-2-4-15-17(11)14(18(23)20-15)10-19-13-7-5-12(6-8-13)9-16(21)22/h2-8,10,14H,9H2,1H3,(H,20,23)(H,21,22)/b19-10+
InChIKeyJJWBXTBVGRMDRG-VXLYETTFSA-N
XLogP3.06
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid 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-[(4-hydroxyphenyl)iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 90746792
2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91139489
3-(1H-indazol-6-yliminomethyl)-4-methyl-1,3-dihydroindol-2-one
CID 91553444
4-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91542363
4-methyl-3-[[4-(4-piperidin-1-ylbutoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90702965
4-methyl-3-[[4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90985544
3-[[3-fluoro-4-(pyridin-4-ylmethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 90819034
3-[[3-fluoro-4-(2-methoxyethylamino)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91059431
4-methyl-3-[[3-methyl-4-(2-morpholin-4-ylethylamino)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91616986
3-[[4-[butyl(ethyl)amino]-3-(trifluoromethyl)phenyl]iminomethyl]-4-methyl-1,3-dihydroindol-2-one
CID 91213381
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90708413
4-fluoro-3-[[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91600402

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid (CID 91536921) is 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid is Cc1cccc2c1C(/C=N/c1ccc(CC(=O)O)cc1)C(=O)N2.
What is the InChIKey of 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid?
The InChIKey is JJWBXTBVGRMDRG-VXLYETTFSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-3-2-4-15-17(11)14(18(23)20-15)10-19-13-7-5-12(6-8-13)9-16(21)22/h2-8,10,14H,9H2,1H3,(H,20,23)(H,21,22)/b19-10+.
What are the key properties of 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid?
2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid has a molecular weight of 308.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid is sourced from PubChem (CID 91536921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).