methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate

C15H11NO4 — CID 139218983

IUPACmethyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate
SMILESCOC(=O)c1cc(=O)oc2c1cc(N)c1ccccc12
InChIInChI=1S/C15H11NO4/c1-19-15(18)11-7-13(17)20-14-9-5-3-2-4-8(9)12(16)6-10(11)14/h2-7H,16H2,1H3
InChIKeyGTIVSNSOIHMYGA-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.32
Rot. Bonds1

About methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate

methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate (PubChem CID 139218983) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate
PubChem CID139218983
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Namemethyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate
SMILESCOC(=O)c1cc(=O)oc2c1cc(N)c1ccccc12
InChIInChI=1S/C15H11NO4/c1-19-15(18)11-7-13(17)20-14-9-5-3-2-4-8(9)12(16)6-10(11)14/h2-7H,16H2,1H3
InChIKeyGTIVSNSOIHMYGA-UHFFFAOYSA-N
XLogP2.32
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(3-Aminophenyl)-6-methylchromen-2-one
CID 118724440
4-Aminonaphthalen-1-yl acetate
CID 97355955
4H-Naphtho(1,2-b)pyran-4-one, 6-amino-2-phenyl-
CID 188112
5-Amino-9-methoxy-3,4-dihydrobenzo[h]chromen-2-one
CID 71598409
4-O-[4-amino-2-(trifluoromethyl)phenyl] 1-O-[4-amino-3-(trifluoromethyl)phenyl] 2-(trifluoromethyl)benzene-1,4-dicarboxylate
CID 140896209
[4-[4-Amino-2-(trifluoromethyl)benzoyl]oxy-2-(trifluoromethyl)phenyl] 4-amino-3-(trifluoromethyl)benzoate
CID 140896239
[3-[4-Amino-3-(trifluoromethyl)phenoxy]carbonylphenyl] 4-amino-2-(trifluoromethyl)benzoate
CID 140896255
Methyl 2-[5-amino-3-(6-aminonaphthalen-2-yl)-4-fluoro-2-methoxyphenyl]-2-methylpropanoate
CID 144982457
4-Amino-1-methoxynaphthalene-2-carboxylic acid
CID 85697298
7-(2-Aminophenyl)-6-(methoxycarbonyl)-2h-chromen-2-one
CID 129750914
Bis-phenetidyl terephthalic aldehyde
CID 129819126
11-Aminonaphtho[1,2-c]isochromen-6-one
CID 138982155

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate?
The IUPAC name of methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate (CID 139218983) is methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate is COC(=O)c1cc(=O)oc2c1cc(N)c1ccccc12.
What is the InChIKey of methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate?
The InChIKey is GTIVSNSOIHMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-15(18)11-7-13(17)20-14-9-5-3-2-4-8(9)12(16)6-10(11)14/h2-7H,16H2,1H3.
What are the key properties of methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate?
methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-oxobenzo[h]chromene-4-carboxylate is sourced from PubChem (CID 139218983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).