7-(dibenzylamino)-2-oxochromene-3-carboxylic acid

C24H19NO4 — CID 71667688

IUPAC7-(dibenzylamino)-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2oc1=O
InChIInChI=1S/C24H19NO4/c26-23(27)21-13-19-11-12-20(14-22(19)29-24(21)28)25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,27)
InChIKeyJRHSORWQTHPWJB-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.70
Rot. Bonds6

About 7-(dibenzylamino)-2-oxochromene-3-carboxylic acid

7-(dibenzylamino)-2-oxochromene-3-carboxylic acid (PubChem CID 71667688) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 7-(dibenzylamino)-2-oxochromene-3-carboxylic acid.

Molecular Properties

Compound Name7-(dibenzylamino)-2-oxochromene-3-carboxylic acid
PubChem CID71667688
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name7-(dibenzylamino)-2-oxochromene-3-carboxylic acid
SMILESO=C(O)c1cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2oc1=O
InChIInChI=1S/C24H19NO4/c26-23(27)21-13-19-11-12-20(14-22(19)29-24(21)28)25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,27)
InChIKeyJRHSORWQTHPWJB-UHFFFAOYSA-N
XLogP4.70
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(dibenzylamino)-2-oxochromene-3-carboxylic acid?
The IUPAC name of 7-(dibenzylamino)-2-oxochromene-3-carboxylic acid (CID 71667688) is 7-(dibenzylamino)-2-oxochromene-3-carboxylic acid.
What is the SMILES notation for 7-(dibenzylamino)-2-oxochromene-3-carboxylic acid?
The canonical SMILES for 7-(dibenzylamino)-2-oxochromene-3-carboxylic acid is O=C(O)c1cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2oc1=O.
What is the InChIKey of 7-(dibenzylamino)-2-oxochromene-3-carboxylic acid?
The InChIKey is JRHSORWQTHPWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c26-23(27)21-13-19-11-12-20(14-22(19)29-24(21)28)25(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,27).
What are the key properties of 7-(dibenzylamino)-2-oxochromene-3-carboxylic acid?
7-(dibenzylamino)-2-oxochromene-3-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dibenzylamino)-2-oxochromene-3-carboxylic acid is sourced from PubChem (CID 71667688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).