3-amino-4-(2-ethoxyanilino)isochromen-1-one

C17H16N2O3 — CID 51065000

IUPAC3-amino-4-(2-ethoxyanilino)isochromen-1-one
SMILESCCOc1ccccc1Nc1c(N)oc(=O)c2ccccc12
InChIInChI=1S/C17H16N2O3/c1-2-21-14-10-6-5-9-13(14)19-15-11-7-3-4-8-12(11)17(20)22-16(15)18/h3-10,19H,2,18H2,1H3
InChIKeyHKCFPRBSSCNMNZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.52
Rot. Bonds4

About 3-amino-4-(2-ethoxyanilino)isochromen-1-one

3-amino-4-(2-ethoxyanilino)isochromen-1-one (PubChem CID 51065000) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-amino-4-(2-ethoxyanilino)isochromen-1-one.

Molecular Properties

Compound Name3-amino-4-(2-ethoxyanilino)isochromen-1-one
PubChem CID51065000
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-amino-4-(2-ethoxyanilino)isochromen-1-one
SMILESCCOc1ccccc1Nc1c(N)oc(=O)c2ccccc12
InChIInChI=1S/C17H16N2O3/c1-2-21-14-10-6-5-9-13(14)19-15-11-7-3-4-8-12(11)17(20)22-16(15)18/h3-10,19H,2,18H2,1H3
InChIKeyHKCFPRBSSCNMNZ-UHFFFAOYSA-N
XLogP3.52
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-ethoxyanilino)isochromen-1-one?
The IUPAC name of 3-amino-4-(2-ethoxyanilino)isochromen-1-one (CID 51065000) is 3-amino-4-(2-ethoxyanilino)isochromen-1-one.
What is the SMILES notation for 3-amino-4-(2-ethoxyanilino)isochromen-1-one?
The canonical SMILES for 3-amino-4-(2-ethoxyanilino)isochromen-1-one is CCOc1ccccc1Nc1c(N)oc(=O)c2ccccc12.
What is the InChIKey of 3-amino-4-(2-ethoxyanilino)isochromen-1-one?
The InChIKey is HKCFPRBSSCNMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-21-14-10-6-5-9-13(14)19-15-11-7-3-4-8-12(11)17(20)22-16(15)18/h3-10,19H,2,18H2,1H3.
What are the key properties of 3-amino-4-(2-ethoxyanilino)isochromen-1-one?
3-amino-4-(2-ethoxyanilino)isochromen-1-one has a molecular weight of 296.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-ethoxyanilino)isochromen-1-one is sourced from PubChem (CID 51065000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).