methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate

C13H11NO4 — CID 24890587

IUPACmethyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cc(C(N)=O)ccc2cc1O
InChIInChI=1S/C13H11NO4/c1-18-13(17)10-5-9-4-8(12(14)16)3-2-7(9)6-11(10)15/h2-6,15H,1H3,(H2,14,16)
InChIKeyUEWOPSDQKWCSSA-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.43
Rot. Bonds2

About methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate

methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate (PubChem CID 24890587) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
PubChem CID24890587
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Namemethyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2cc(C(N)=O)ccc2cc1O
InChIInChI=1S/C13H11NO4/c1-18-13(17)10-5-9-4-8(12(14)16)3-2-7(9)6-11(10)15/h2-6,15H,1H3,(H2,14,16)
InChIKeyUEWOPSDQKWCSSA-UHFFFAOYSA-N
XLogP1.43
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,4-diamine;7-O-benzyl 2-O-methyl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 70005691
3-methoxynaphthalene-2,7-dicarboxamide
CID 23118701
methyl 6-carbamoylnaphthalene-1-carboxylate
CID 162353459
dipropan-2-yl 3-hydroxynaphthalene-2,7-dicarboxylate
CID 21191991
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058
3-hydroxynaphthalene-2,7-dicarbohydrazide
CID 23149584
6-carboxy-3-methoxycarbonylnaphthalen-2-olate
CID 71358294
methyl 4-[3-(3-hydroxynaphthalen-2-yl)-3-oxopropanoyl]benzoate
CID 58209954
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
tetracene-2-carboxamide;hydrobromide
CID 22400124
methyl 6-[(Z)-pent-2-en-3-yl]naphthalene-2-carboxylate
CID 67158729

Frequently Asked Questions

What is the IUPAC name of methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate (CID 24890587) is methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate is COC(=O)c1cc2cc(C(N)=O)ccc2cc1O.
What is the InChIKey of methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate?
The InChIKey is UEWOPSDQKWCSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-18-13(17)10-5-9-4-8(12(14)16)3-2-7(9)6-11(10)15/h2-6,15H,1H3,(H2,14,16).
What are the key properties of methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate?
methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate has a molecular weight of 245.23 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 24890587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).