7-(diethylamino)-3-pyridin-3-ylchromen-2-one

C18H18N2O2 — CID 89474400

IUPAC7-(diethylamino)-3-pyridin-3-ylchromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3cccnc3)c(=O)oc2c1
InChIInChI=1S/C18H18N2O2/c1-3-20(4-2)15-8-7-13-10-16(14-6-5-9-19-12-14)18(21)22-17(13)11-15/h5-12H,3-4H2,1-2H3
InChIKeyRBUNUFSJTQHJPY-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.70
Rot. Bonds4

About 7-(diethylamino)-3-pyridin-3-ylchromen-2-one

7-(diethylamino)-3-pyridin-3-ylchromen-2-one (PubChem CID 89474400) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 7-(diethylamino)-3-pyridin-3-ylchromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-pyridin-3-ylchromen-2-one
PubChem CID89474400
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name7-(diethylamino)-3-pyridin-3-ylchromen-2-one
SMILESCCN(CC)c1ccc2cc(-c3cccnc3)c(=O)oc2c1
InChIInChI=1S/C18H18N2O2/c1-3-20(4-2)15-8-7-13-10-16(14-6-5-9-19-12-14)18(21)22-17(13)11-15/h5-12H,3-4H2,1-2H3
InChIKeyRBUNUFSJTQHJPY-UHFFFAOYSA-N
XLogP3.70
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
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-(diethylamino)-3-pyridin-3-ylchromen-2-one?
The IUPAC name of 7-(diethylamino)-3-pyridin-3-ylchromen-2-one (CID 89474400) is 7-(diethylamino)-3-pyridin-3-ylchromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-pyridin-3-ylchromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-pyridin-3-ylchromen-2-one is CCN(CC)c1ccc2cc(-c3cccnc3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-pyridin-3-ylchromen-2-one?
The InChIKey is RBUNUFSJTQHJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-20(4-2)15-8-7-13-10-16(14-6-5-9-19-12-14)18(21)22-17(13)11-15/h5-12H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-pyridin-3-ylchromen-2-one?
7-(diethylamino)-3-pyridin-3-ylchromen-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-pyridin-3-ylchromen-2-one is sourced from PubChem (CID 89474400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).