2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione

C19H14N2O3 — CID 21401380

IUPAC2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione
SMILESNN1C(=O)c2cc(OCc3ccccc3)c3ccccc3c2C1=O
InChIInChI=1S/C19H14N2O3/c20-21-18(22)15-10-16(24-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19(21)23/h1-10H,11,20H2
InChIKeyHDFGEZNBAWXYQH-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.89
Rot. Bonds3

About 2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione

2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione (PubChem CID 21401380) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Name2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione
PubChem CID21401380
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione
SMILESNN1C(=O)c2cc(OCc3ccccc3)c3ccccc3c2C1=O
InChIInChI=1S/C19H14N2O3/c20-21-18(22)15-10-16(24-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19(21)23/h1-10H,11,20H2
InChIKeyHDFGEZNBAWXYQH-UHFFFAOYSA-N
XLogP2.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220
12-(hydroxymethyl)-5-phenylmethoxy-10,11,11a,12-tetrahydro-9H-naphtho[2,1-f]indolizin-7-one
CID 11257312
methyl 1-phenyl-4-phenylmethoxynaphthalene-2-carboxylate
CID 147669047
(11S,12S)-11,12-dimethoxy-3,4,5,18,19,20-hexakis(phenylmethoxy)-9,14-dioxatricyclo[14.4.0.02,7]icosa-1(20),2,4,6,16,18-hexaene-8,15-dione
CID 56927572
(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate
CID 175264172
1,5-di(nonoxy)-2,3,6,7-tetrakis(phenylmethoxy)anthracene-9,10-dione
CID 101100958
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
8-phenylmethoxy-1H-pyrrolo[1,2-f]phenanthridin-6-one
CID 88726516
4-phenylmethoxynaphthalene-2-carbaldehyde
CID 71757507

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione?
The IUPAC name of 2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione (CID 21401380) is 2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione.
What is the SMILES notation for 2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione?
The canonical SMILES for 2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione is NN1C(=O)c2cc(OCc3ccccc3)c3ccccc3c2C1=O.
What is the InChIKey of 2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione?
The InChIKey is HDFGEZNBAWXYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c20-21-18(22)15-10-16(24-11-12-6-2-1-3-7-12)13-8-4-5-9-14(13)17(15)19(21)23/h1-10H,11,20H2.
What are the key properties of 2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione?
2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione has a molecular weight of 318.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenylmethoxybenzo[e]isoindole-1,3-dione is sourced from PubChem (CID 21401380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).