8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline

C12H11BrN2O — CID 155362937

IUPAC8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline
SMILESCC1Cc2cc3ccc(Br)cc3nc2NO1
InChIInChI=1S/C12H11BrN2O/c1-7-4-9-5-8-2-3-10(13)6-11(8)14-12(9)15-16-7/h2-3,5-7H,4H2,1H3,(H,14,15)
InChIKeyYHVULFOZRQEYRN-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.29
Rot. Bonds

About 8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline

8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline (PubChem CID 155362937) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline.

Molecular Properties

Compound Name8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline
PubChem CID155362937
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline
SMILESCC1Cc2cc3ccc(Br)cc3nc2NO1
InChIInChI=1S/C12H11BrN2O/c1-7-4-9-5-8-2-3-10(13)6-11(8)14-12(9)15-16-7/h2-3,5-7H,4H2,1H3,(H,14,15)
InChIKeyYHVULFOZRQEYRN-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline?
The IUPAC name of 8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline (CID 155362937) is 8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline.
What is the SMILES notation for 8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline?
The canonical SMILES for 8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline is CC1Cc2cc3ccc(Br)cc3nc2NO1.
What is the InChIKey of 8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline?
The InChIKey is YHVULFOZRQEYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-7-4-9-5-8-2-3-10(13)6-11(8)14-12(9)15-16-7/h2-3,5-7H,4H2,1H3,(H,14,15).
What are the key properties of 8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline?
8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline has a molecular weight of 279.14 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-3,4-dihydro-1H-oxazino[3,4-b]quinoline is sourced from PubChem (CID 155362937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).