6-bromo-3-quinolin-2-ylchromen-2-one

C18H10BrNO2 — CID 23820331

IUPAC6-bromo-3-quinolin-2-ylchromen-2-one
SMILESO=c1oc2ccc(Br)cc2cc1-c1ccc2ccccc2n1
InChIInChI=1S/C18H10BrNO2/c19-13-6-8-17-12(9-13)10-14(18(21)22-17)16-7-5-11-3-1-2-4-15(11)20-16/h1-10H
InChIKeyLDWHJQIYLKJYGF-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.77
Rot. Bonds1

About 6-bromo-3-quinolin-2-ylchromen-2-one

6-bromo-3-quinolin-2-ylchromen-2-one (PubChem CID 23820331) has the molecular formula C18H10BrNO2 and a molecular weight of 352.19 g/mol. Its IUPAC name is 6-bromo-3-quinolin-2-ylchromen-2-one.

Molecular Properties

Compound Name6-bromo-3-quinolin-2-ylchromen-2-one
PubChem CID23820331
Molecular FormulaC18H10BrNO2
Molecular Weight352.19 g/mol
Exact Mass350.99
IUPAC Name6-bromo-3-quinolin-2-ylchromen-2-one
SMILESO=c1oc2ccc(Br)cc2cc1-c1ccc2ccccc2n1
InChIInChI=1S/C18H10BrNO2/c19-13-6-8-17-12(9-13)10-14(18(21)22-17)16-7-5-11-3-1-2-4-15(11)20-16/h1-10H
InChIKeyLDWHJQIYLKJYGF-UHFFFAOYSA-N
XLogP4.77
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-quinolin-2-ylchromen-2-one?
The IUPAC name of 6-bromo-3-quinolin-2-ylchromen-2-one (CID 23820331) is 6-bromo-3-quinolin-2-ylchromen-2-one.
What is the SMILES notation for 6-bromo-3-quinolin-2-ylchromen-2-one?
The canonical SMILES for 6-bromo-3-quinolin-2-ylchromen-2-one is O=c1oc2ccc(Br)cc2cc1-c1ccc2ccccc2n1.
What is the InChIKey of 6-bromo-3-quinolin-2-ylchromen-2-one?
The InChIKey is LDWHJQIYLKJYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrNO2/c19-13-6-8-17-12(9-13)10-14(18(21)22-17)16-7-5-11-3-1-2-4-15(11)20-16/h1-10H.
What are the key properties of 6-bromo-3-quinolin-2-ylchromen-2-one?
6-bromo-3-quinolin-2-ylchromen-2-one has a molecular weight of 352.19 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-quinolin-2-ylchromen-2-one is sourced from PubChem (CID 23820331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).