8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one

C18H16N2O2 — CID 135709752

IUPAC8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one
SMILESCCc1ccc(/N=C2\C=CC(=O)c3c(N)ccc(O)c32)cc1
InChIInChI=1S/C18H16N2O2/c1-2-11-3-5-12(6-4-11)20-14-8-10-15(21)17-13(19)7-9-16(22)18(14)17/h3-10,22H,2,19H2,1H3/b20-14+
InChIKeyLOIFBIHUIKIZRH-XSFVSMFZSA-N
MW292.34 g/mol
LogP3.41
Rot. Bonds2

About 8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one

8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one (PubChem CID 135709752) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one.

Molecular Properties

Compound Name8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one
PubChem CID135709752
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one
SMILESCCc1ccc(/N=C2\C=CC(=O)c3c(N)ccc(O)c32)cc1
InChIInChI=1S/C18H16N2O2/c1-2-11-3-5-12(6-4-11)20-14-8-10-15(21)17-13(19)7-9-16(22)18(14)17/h3-10,22H,2,19H2,1H3/b20-14+
InChIKeyLOIFBIHUIKIZRH-XSFVSMFZSA-N
XLogP3.41
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

8-amino-4-(4-butoxyphenyl)imino-5-hydroxynaphthalen-1-one
CID 135709756
8-amino-4-(4-hexylcyclohexyl)imino-5-hydroxynaphthalen-1-one
CID 135709750
6-(4-aminophenyl)imino-4-[(4-aminophenyl)methyl]-2-ethyl-3-hydroxycyclohexa-2,4-dien-1-one;methane
CID 161312064
1,5-diamino-4,8-dihydroxyanthracene-9,10-dione;hydrochloride
CID 68949562
CID 102007434
CID 102007434
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
CID 135475747
cyclobutanone;4-ethylaniline
CID 142964401
3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 4142112
4-amino-3-(4-ethylphenyl)phenol
CID 172675036
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
1,4-diethylbenzene;oxoalumane
CID 174317758
barium(2+);bis(4-ethylbenzoate)
CID 101299929

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one?
The IUPAC name of 8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one (CID 135709752) is 8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one.
What is the SMILES notation for 8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one?
The canonical SMILES for 8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one is CCc1ccc(/N=C2\C=CC(=O)c3c(N)ccc(O)c32)cc1.
What is the InChIKey of 8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one?
The InChIKey is LOIFBIHUIKIZRH-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-11-3-5-12(6-4-11)20-14-8-10-15(21)17-13(19)7-9-16(22)18(14)17/h3-10,22H,2,19H2,1H3/b20-14+.
What are the key properties of 8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one?
8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one has a molecular weight of 292.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-(4-ethylphenyl)imino-5-hydroxynaphthalen-1-one is sourced from PubChem (CID 135709752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).