3-(4-aminophenyl)-7-(diethylamino)chromen-2-one

C19H20N2O2 — CID 19774053

IUPAC3-(4-aminophenyl)-7-(diethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3ccc(N)cc3)c(=O)oc2c1
InChIInChI=1S/C19H20N2O2/c1-3-21(4-2)16-10-7-14-11-17(19(22)23-18(14)12-16)13-5-8-15(20)9-6-13/h5-12H,3-4,20H2,1-2H3
InChIKeyXTMYMVIAYRSVIG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.89
Rot. Bonds4

About 3-(4-aminophenyl)-7-(diethylamino)chromen-2-one

3-(4-aminophenyl)-7-(diethylamino)chromen-2-one (PubChem CID 19774053) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-7-(diethylamino)chromen-2-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-7-(diethylamino)chromen-2-one
PubChem CID19774053
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-(4-aminophenyl)-7-(diethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3ccc(N)cc3)c(=O)oc2c1
InChIInChI=1S/C19H20N2O2/c1-3-21(4-2)16-10-7-14-11-17(19(22)23-18(14)12-16)13-5-8-15(20)9-6-13/h5-12H,3-4,20H2,1-2H3
InChIKeyXTMYMVIAYRSVIG-UHFFFAOYSA-N
XLogP3.89
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-7-(diethylamino)chromen-2-one?
The IUPAC name of 3-(4-aminophenyl)-7-(diethylamino)chromen-2-one (CID 19774053) is 3-(4-aminophenyl)-7-(diethylamino)chromen-2-one.
What is the SMILES notation for 3-(4-aminophenyl)-7-(diethylamino)chromen-2-one?
The canonical SMILES for 3-(4-aminophenyl)-7-(diethylamino)chromen-2-one is CCN(CC)c1ccc2cc(-c3ccc(N)cc3)c(=O)oc2c1.
What is the InChIKey of 3-(4-aminophenyl)-7-(diethylamino)chromen-2-one?
The InChIKey is XTMYMVIAYRSVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-21(4-2)16-10-7-14-11-17(19(22)23-18(14)12-16)13-5-8-15(20)9-6-13/h5-12H,3-4,20H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-7-(diethylamino)chromen-2-one?
3-(4-aminophenyl)-7-(diethylamino)chromen-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-7-(diethylamino)chromen-2-one is sourced from PubChem (CID 19774053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).