6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one

C19H14BrNO3 — CID 1327337

IUPAC6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2cc(Br)ccc2oc1=O)N1CCCc2ccccc21
InChIInChI=1S/C19H14BrNO3/c20-14-7-8-17-13(10-14)11-15(19(23)24-17)18(22)21-9-3-5-12-4-1-2-6-16(12)21/h1-2,4,6-8,10-11H,3,5,9H2
InChIKeyHYWRNTDNLKOPPY-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.15
Rot. Bonds1

About 6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one

6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one (PubChem CID 1327337) has the molecular formula C19H14BrNO3 and a molecular weight of 384.23 g/mol. Its IUPAC name is 6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one
PubChem CID1327337
Molecular FormulaC19H14BrNO3
Molecular Weight384.23 g/mol
Exact Mass383.02
IUPAC Name6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2cc(Br)ccc2oc1=O)N1CCCc2ccccc21
InChIInChI=1S/C19H14BrNO3/c20-14-7-8-17-13(10-14)11-15(19(23)24-17)18(22)21-9-3-5-12-4-1-2-6-16(12)21/h1-2,4,6-8,10-11H,3,5,9H2
InChIKeyHYWRNTDNLKOPPY-UHFFFAOYSA-N
XLogP4.15
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.15
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-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one?
The IUPAC name of 6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one (CID 1327337) is 6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one.
What is the SMILES notation for 6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one?
The canonical SMILES for 6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one is O=C(c1cc2cc(Br)ccc2oc1=O)N1CCCc2ccccc21.
What is the InChIKey of 6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one?
The InChIKey is HYWRNTDNLKOPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrNO3/c20-14-7-8-17-13(10-14)11-15(19(23)24-17)18(22)21-9-3-5-12-4-1-2-6-16(12)21/h1-2,4,6-8,10-11H,3,5,9H2.
What are the key properties of 6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one?
6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one has a molecular weight of 384.23 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3,4-dihydro-2H-quinoline-1-carbonyl)chromen-2-one is sourced from PubChem (CID 1327337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).