methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate

C26H19NO4 — CID 70001257

IUPACmethyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(O)c(C(=O)NC3C=Cc4cccc5cccc3c45)cc2c1
InChIInChI=1S/C26H19NO4/c1-31-26(30)18-9-8-17-14-23(28)21(13-19(17)12-18)25(29)27-22-11-10-16-5-2-4-15-6-3-7-20(22)24(15)16/h2-14,22,28H,1H3,(H,27,29)
InChIKeyOUOQOVBUOHRDPX-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.98
Rot. Bonds3

About methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate

methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate (PubChem CID 70001257) has the molecular formula C26H19NO4 and a molecular weight of 409.44 g/mol. Its IUPAC name is methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate
PubChem CID70001257
Molecular FormulaC26H19NO4
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC Namemethyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(O)c(C(=O)NC3C=Cc4cccc5cccc3c45)cc2c1
InChIInChI=1S/C26H19NO4/c1-31-26(30)18-9-8-17-14-23(28)21(13-19(17)12-18)25(29)27-22-11-10-16-5-2-4-15-6-3-7-20(22)24(15)16/h2-14,22,28H,1H3,(H,27,29)
InChIKeyOUOQOVBUOHRDPX-UHFFFAOYSA-N
XLogP4.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid
CID 70000365
3-hydroxy-7-N-[4-[[3-hydroxy-7-(phenylcarbamoyl)naphthalene-2-carbonyl]amino]-1H-phenalen-1-yl]-2-N-phenylnaphthalene-2,7-dicarboxamide
CID 70266786
N-(1H-phenalen-1-yl)-1H-phenalen-1-amine
CID 23024201
methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 24890587
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 4-[3-(3-hydroxynaphthalen-2-yl)-3-oxopropanoyl]benzoate
CID 58209954
3-hydroxy-2-N,7-N-dimethylnaphthalene-2,7-dicarboxamide
CID 59002091
methyl 4-benzoyl-3-hydroxybenzoate
CID 132545644
methyl 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxylate
CID 122191871
3-hydroxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 806093
methyl (5S,6S)-5-hydroxy-6-methoxy-5,6-dihydronaphthalene-2-carboxylate
CID 71740035
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate (CID 70001257) is methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate is COC(=O)c1ccc2cc(O)c(C(=O)NC3C=Cc4cccc5cccc3c45)cc2c1.
What is the InChIKey of methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate?
The InChIKey is OUOQOVBUOHRDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO4/c1-31-26(30)18-9-8-17-14-23(28)21(13-19(17)12-18)25(29)27-22-11-10-16-5-2-4-15-6-3-7-20(22)24(15)16/h2-14,22,28H,1H3,(H,27,29).
What are the key properties of methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate?
methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate has a molecular weight of 409.44 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate is sourced from PubChem (CID 70001257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).