dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate

C19H23NO6 — CID 12985851

IUPACdimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate
SMILESCOC(=O)C1=C(NC2CCCCC2)Oc2ccc(O)cc2C1C(=O)OC
InChIInChI=1S/C19H23NO6/c1-24-18(22)15-13-10-12(21)8-9-14(13)26-17(16(15)19(23)25-2)20-11-6-4-3-5-7-11/h8-11,15,20-21H,3-7H2,1-2H3
InChIKeyQTFLOWVEJUORSQ-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.35
Rot. Bonds4

About dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate

dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate (PubChem CID 12985851) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate
PubChem CID12985851
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Namedimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate
SMILESCOC(=O)C1=C(NC2CCCCC2)Oc2ccc(O)cc2C1C(=O)OC
InChIInChI=1S/C19H23NO6/c1-24-18(22)15-13-10-12(21)8-9-14(13)26-17(16(15)19(23)25-2)20-11-6-4-3-5-7-11/h8-11,15,20-21H,3-7H2,1-2H3
InChIKeyQTFLOWVEJUORSQ-UHFFFAOYSA-N
XLogP2.35
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate (CID 12985851) is dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate is COC(=O)C1=C(NC2CCCCC2)Oc2ccc(O)cc2C1C(=O)OC.
What is the InChIKey of dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate?
The InChIKey is QTFLOWVEJUORSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-24-18(22)15-13-10-12(21)8-9-14(13)26-17(16(15)19(23)25-2)20-11-6-4-3-5-7-11/h8-11,15,20-21H,3-7H2,1-2H3.
What are the key properties of dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate?
dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate has a molecular weight of 361.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(cyclohexylamino)-6-hydroxy-4H-chromene-3,4-dicarboxylate is sourced from PubChem (CID 12985851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).