propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate

C19H18N2O3 — CID 135559348

IUPACpropyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
SMILESCCCOC(=O)c1ccc(/N=C2\C(=O)Nc3ccc(C)cc32)cc1
InChIInChI=1S/C19H18N2O3/c1-3-10-24-19(23)13-5-7-14(8-6-13)20-17-15-11-12(2)4-9-16(15)21-18(17)22/h4-9,11H,3,10H2,1-2H3,(H,20,21,22)
InChIKeyZPMIMYBZQQQWGK-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.63
Rot. Bonds4

About propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate

propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate (PubChem CID 135559348) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
PubChem CID135559348
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namepropyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
SMILESCCCOC(=O)c1ccc(/N=C2\C(=O)Nc3ccc(C)cc32)cc1
InChIInChI=1S/C19H18N2O3/c1-3-10-24-19(23)13-5-7-14(8-6-13)20-17-15-11-12(2)4-9-16(15)21-18(17)22/h4-9,11H,3,10H2,1-2H3,(H,20,21,22)
InChIKeyZPMIMYBZQQQWGK-UHFFFAOYSA-N
XLogP3.63
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135559310
5-methyl-3-[4-(4-methylphenoxy)phenyl]imino-1H-indol-2-one
CID 135559351
4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]-N-(4-sulfamoylphenyl)benzamide
CID 137226402
propan-2-yl 4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135559304
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4-methylphenyl)benzamide
CID 135559242
3-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
CID 137028519
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide
CID 135832490
propan-2-yl 4-[(5-bromo-7-ethyl-2-oxo-1H-indol-3-ylidene)amino]benzoate
CID 135838591
5-bromo-3-(4-methoxyphenyl)imino-1H-indol-2-one
CID 135400370
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
propyl 4-hydroxybenzoate
CID 66683808
3-(3-chloro-2-methylphenyl)imino-5-methyl-1H-indol-2-one
CID 135559374

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate?
The IUPAC name of propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate (CID 135559348) is propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate.
What is the SMILES notation for propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate?
The canonical SMILES for propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate is CCCOC(=O)c1ccc(/N=C2\C(=O)Nc3ccc(C)cc32)cc1.
What is the InChIKey of propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate?
The InChIKey is ZPMIMYBZQQQWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-10-24-19(23)13-5-7-14(8-6-13)20-17-15-11-12(2)4-9-16(15)21-18(17)22/h4-9,11H,3,10H2,1-2H3,(H,20,21,22).
What are the key properties of propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate?
propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate has a molecular weight of 322.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzoate is sourced from PubChem (CID 135559348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).