8-bromo-5-methylidene-2-phenoxy-6H-quinoline

C16H12BrNO — CID 176658059

IUPAC8-bromo-5-methylidene-2-phenoxy-6H-quinoline
SMILESC=C1CC=C(Br)c2nc(Oc3ccccc3)ccc21
InChIInChI=1S/C16H12BrNO/c1-11-7-9-14(17)16-13(11)8-10-15(18-16)19-12-5-3-2-4-6-12/h2-6,8-10H,1,7H2
InChIKeyKDZMCCPQULTXIX-UHFFFAOYSA-N
MW314.18 g/mol
LogP5.03
Rot. Bonds2

About 8-bromo-5-methylidene-2-phenoxy-6H-quinoline

8-bromo-5-methylidene-2-phenoxy-6H-quinoline (PubChem CID 176658059) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 8-bromo-5-methylidene-2-phenoxy-6H-quinoline.

Molecular Properties

Compound Name8-bromo-5-methylidene-2-phenoxy-6H-quinoline
PubChem CID176658059
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name8-bromo-5-methylidene-2-phenoxy-6H-quinoline
SMILESC=C1CC=C(Br)c2nc(Oc3ccccc3)ccc21
InChIInChI=1S/C16H12BrNO/c1-11-7-9-14(17)16-13(11)8-10-15(18-16)19-12-5-3-2-4-6-12/h2-6,8-10H,1,7H2
InChIKeyKDZMCCPQULTXIX-UHFFFAOYSA-N
XLogP5.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.18
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-phenoxypyridin-3-amine
CID 130297148
2-phenoxy-6-(6-phenoxy-2-pyridinyl)pyridine
CID 10735915
2-phenoxy-5,6,7,8-tetrahydroquinoline
CID 141121654
4-phenoxy-2-pyrimidin-2-ylpyrimidine
CID 152601729
2-fluoro-4-phenoxypyrimidine
CID 54296073
2-ethyl-6-phenoxypyridine
CID 19828151
3-[(6-phenoxy-2-pyridinyl)oxy]phenol
CID 58250419
2-chloro-5-phenoxy-3-phenylsulfanylpyrazine
CID 88783098
(S)-(2-methyl-6-phenoxy-3-pyridinyl)-phenylmethanamine
CID 124502303
(3-chloro-6-phenoxy-2-pyridinyl)methanamine
CID 62296116
3-chloro-5-phenoxy-1,2,4-triazine
CID 114998935
N-methyl-6-phenoxypyridin-2-amine
CID 58106895

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-methylidene-2-phenoxy-6H-quinoline?
The IUPAC name of 8-bromo-5-methylidene-2-phenoxy-6H-quinoline (CID 176658059) is 8-bromo-5-methylidene-2-phenoxy-6H-quinoline.
What is the SMILES notation for 8-bromo-5-methylidene-2-phenoxy-6H-quinoline?
The canonical SMILES for 8-bromo-5-methylidene-2-phenoxy-6H-quinoline is C=C1CC=C(Br)c2nc(Oc3ccccc3)ccc21.
What is the InChIKey of 8-bromo-5-methylidene-2-phenoxy-6H-quinoline?
The InChIKey is KDZMCCPQULTXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-11-7-9-14(17)16-13(11)8-10-15(18-16)19-12-5-3-2-4-6-12/h2-6,8-10H,1,7H2.
What are the key properties of 8-bromo-5-methylidene-2-phenoxy-6H-quinoline?
8-bromo-5-methylidene-2-phenoxy-6H-quinoline has a molecular weight of 314.18 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-methylidene-2-phenoxy-6H-quinoline is sourced from PubChem (CID 176658059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).