7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one

C24H22N2O2 — CID 15686898

IUPAC7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=C/c3ccc4ccccc4n3)c(=O)oc2c1
InChIInChI=1S/C24H22N2O2/c1-3-26(4-2)21-14-11-18-15-19(24(27)28-23(18)16-21)10-13-20-12-9-17-7-5-6-8-22(17)25-20/h5-16H,3-4H2,1-2H3/b13-10+
InChIKeyMBBACODUGCVPBV-JLHYYAGUSA-N
MW370.45 g/mol
LogP5.36
Rot. Bonds5

About 7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one

7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one (PubChem CID 15686898) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one
PubChem CID15686898
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one
SMILESCCN(CC)c1ccc2cc(/C=C/c3ccc4ccccc4n3)c(=O)oc2c1
InChIInChI=1S/C24H22N2O2/c1-3-26(4-2)21-14-11-18-15-19(24(27)28-23(18)16-21)10-13-20-12-9-17-7-5-6-8-22(17)25-20/h5-16H,3-4H2,1-2H3/b13-10+
InChIKeyMBBACODUGCVPBV-JLHYYAGUSA-N
XLogP5.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.36
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-[(E)-2-quinolin-2-ylethenyl]chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one (CID 15686898) is 7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one is CCN(CC)c1ccc2cc(/C=C/c3ccc4ccccc4n3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one?
The InChIKey is MBBACODUGCVPBV-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-26(4-2)21-14-11-18-15-19(24(27)28-23(18)16-21)10-13-20-12-9-17-7-5-6-8-22(17)25-20/h5-16H,3-4H2,1-2H3/b13-10+.
What are the key properties of 7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one?
7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one has a molecular weight of 370.45 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one is sourced from PubChem (CID 15686898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).