7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one

C24H23N3O2 — CID 162651639

IUPAC7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(C3Nc4cccc5cccc(c45)N3)c(=O)oc2c1
InChIInChI=1S/C24H23N3O2/c1-3-27(4-2)17-12-11-16-13-18(24(28)29-21(16)14-17)23-25-19-9-5-7-15-8-6-10-20(26-23)22(15)19/h5-14,23,25-26H,3-4H2,1-2H3
InChIKeyFWYYJRCXZPSYSQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.33
Rot. Bonds4

About 7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one

7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one (PubChem CID 162651639) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one
PubChem CID162651639
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one
SMILESCCN(CC)c1ccc2cc(C3Nc4cccc5cccc(c45)N3)c(=O)oc2c1
InChIInChI=1S/C24H23N3O2/c1-3-27(4-2)17-12-11-16-13-18(24(28)29-21(16)14-17)23-25-19-9-5-7-15-8-6-10-20(26-23)22(15)19/h5-14,23,25-26H,3-4H2,1-2H3
InChIKeyFWYYJRCXZPSYSQ-UHFFFAOYSA-N
XLogP5.33
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one (CID 162651639) is 7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one is CCN(CC)c1ccc2cc(C3Nc4cccc5cccc(c45)N3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one?
The InChIKey is FWYYJRCXZPSYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-3-27(4-2)17-12-11-16-13-18(24(28)29-21(16)14-17)23-25-19-9-5-7-15-8-6-10-20(26-23)22(15)19/h5-14,23,25-26H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one?
7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one has a molecular weight of 385.47 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-(2,3-dihydro-1H-perimidin-2-yl)chromen-2-one is sourced from PubChem (CID 162651639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).