6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione

C19H15NO5 — CID 11209917

IUPAC6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
SMILESCOc1cc(/C(=N/O)c2ccccc2)c(OC)c2c1C(=O)C=CC2=O
InChIInChI=1S/C19H15NO5/c1-24-15-10-12(18(20-23)11-6-4-3-5-7-11)19(25-2)17-14(22)9-8-13(21)16(15)17/h3-10,23H,1-2H3/b20-18+
InChIKeyZKMIZMRJZQRNIH-CZIZESTLSA-N
MW337.33 g/mol
LogP2.87
Rot. Bonds4

About 6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione

6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione (PubChem CID 11209917) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
PubChem CID11209917
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione
SMILESCOc1cc(/C(=N/O)c2ccccc2)c(OC)c2c1C(=O)C=CC2=O
InChIInChI=1S/C19H15NO5/c1-24-15-10-12(18(20-23)11-6-4-3-5-7-11)19(25-2)17-14(22)9-8-13(21)16(15)17/h3-10,23H,1-2H3/b20-18+
InChIKeyZKMIZMRJZQRNIH-CZIZESTLSA-N
XLogP2.87
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(C-ethyl-N-hydroxycarbonimidoyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 85240408
N-[(2,3-dimethoxyphenyl)-phenylmethylidene]hydroxylamine
CID 154085721
(NE)-N-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
6-(C-hexyl-N-hydroxycarbonimidoyl)-5,8-dimethoxynaphthalene-1,4-dione
CID 86206538
[(1,4-dimethoxy-5,8-dioxonaphthalen-2-yl)-phenylmethyl] acetate
CID 102023640
(NZ)-N-[1-(3,4-dimethoxynaphthalen-1-yl)ethylidene]hydroxylamine
CID 125472471
(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
(NZ)-N-[(2-phenyl-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydroxylamine
CID 53364194

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione?
The IUPAC name of 6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione (CID 11209917) is 6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione.
What is the SMILES notation for 6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione?
The canonical SMILES for 6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione is COc1cc(/C(=N/O)c2ccccc2)c(OC)c2c1C(=O)C=CC2=O.
What is the InChIKey of 6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione?
The InChIKey is ZKMIZMRJZQRNIH-CZIZESTLSA-N. The full InChI is InChI=1S/C19H15NO5/c1-24-15-10-12(18(20-23)11-6-4-3-5-7-11)19(25-2)17-14(22)9-8-13(21)16(15)17/h3-10,23H,1-2H3/b20-18+.
What are the key properties of 6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione?
6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione has a molecular weight of 337.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5,8-dimethoxynaphthalene-1,4-dione is sourced from PubChem (CID 11209917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).