8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one

C18H14BrN3O2 — CID 42598490

IUPAC8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one
SMILESO=c1cnnc2n1-c1ccc(OCc3ccccc3Br)cc1CC2
InChIInChI=1S/C18H14BrN3O2/c19-15-4-2-1-3-13(15)11-24-14-6-7-16-12(9-14)5-8-17-21-20-10-18(23)22(16)17/h1-4,6-7,9-10H,5,8,11H2
InChIKeyZWUYCQXJZBLFHU-UHFFFAOYSA-N
MW384.23 g/mol
LogP3.07
Rot. Bonds3

About 8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one

8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one (PubChem CID 42598490) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one
PubChem CID42598490
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one
SMILESO=c1cnnc2n1-c1ccc(OCc3ccccc3Br)cc1CC2
InChIInChI=1S/C18H14BrN3O2/c19-15-4-2-1-3-13(15)11-24-14-6-7-16-12(9-14)5-8-17-21-20-10-18(23)22(16)17/h1-4,6-7,9-10H,5,8,11H2
InChIKeyZWUYCQXJZBLFHU-UHFFFAOYSA-N
XLogP3.07
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one?
The IUPAC name of 8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one (CID 42598490) is 8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one.
What is the SMILES notation for 8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one?
The canonical SMILES for 8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one is O=c1cnnc2n1-c1ccc(OCc3ccccc3Br)cc1CC2.
What is the InChIKey of 8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one?
The InChIKey is ZWUYCQXJZBLFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-15-4-2-1-3-13(15)11-24-14-6-7-16-12(9-14)5-8-17-21-20-10-18(23)22(16)17/h1-4,6-7,9-10H,5,8,11H2.
What are the key properties of 8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one?
8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one has a molecular weight of 384.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-bromophenyl)methoxy]-5,6-dihydro-[1,2,4]triazino[4,3-a]quinolin-1-one is sourced from PubChem (CID 42598490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).