1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone

C20H18N2O3 — CID 155490522

IUPAC1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone
SMILESCC(=O)c1cc(/C(C)=N/c2cccc3cccc(N)c23)c(O)cc1O
InChIInChI=1S/C20H18N2O3/c1-11(14-9-15(12(2)23)19(25)10-18(14)24)22-17-8-4-6-13-5-3-7-16(21)20(13)17/h3-10,24-25H,21H2,1-2H3/b22-11+
InChIKeyIQDBMZFLKBHGPZ-SSDVNMTOSA-N
MW334.38 g/mol
LogP4.18
Rot. Bonds3

About 1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone

1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone (PubChem CID 155490522) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone
PubChem CID155490522
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone
SMILESCC(=O)c1cc(/C(C)=N/c2cccc3cccc(N)c23)c(O)cc1O
InChIInChI=1S/C20H18N2O3/c1-11(14-9-15(12(2)23)19(25)10-18(14)24)22-17-8-4-6-13-5-3-7-16(21)20(13)17/h3-10,24-25H,21H2,1-2H3/b22-11+
InChIKeyIQDBMZFLKBHGPZ-SSDVNMTOSA-N
XLogP4.18
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone?
The IUPAC name of 1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone (CID 155490522) is 1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone.
What is the SMILES notation for 1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone?
The canonical SMILES for 1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone is CC(=O)c1cc(/C(C)=N/c2cccc3cccc(N)c23)c(O)cc1O.
What is the InChIKey of 1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone?
The InChIKey is IQDBMZFLKBHGPZ-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-11(14-9-15(12(2)23)19(25)10-18(14)24)22-17-8-4-6-13-5-3-7-16(21)20(13)17/h3-10,24-25H,21H2,1-2H3/b22-11+.
What are the key properties of 1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone?
1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone has a molecular weight of 334.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone is sourced from PubChem (CID 155490522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).