3-bromo-4-chloro-6-phenylmethoxyquinoline

C16H11BrClNO — CID 114759884

IUPAC3-bromo-4-chloro-6-phenylmethoxyquinoline
SMILESClc1c(Br)cnc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C16H11BrClNO/c17-14-9-19-15-7-6-12(8-13(15)16(14)18)20-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyYKSCOEWTQYJPLI-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.23
Rot. Bonds3

About 3-bromo-4-chloro-6-phenylmethoxyquinoline

3-bromo-4-chloro-6-phenylmethoxyquinoline (PubChem CID 114759884) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is 3-bromo-4-chloro-6-phenylmethoxyquinoline.

Molecular Properties

Compound Name3-bromo-4-chloro-6-phenylmethoxyquinoline
PubChem CID114759884
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name3-bromo-4-chloro-6-phenylmethoxyquinoline
SMILESClc1c(Br)cnc2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C16H11BrClNO/c17-14-9-19-15-7-6-12(8-13(15)16(14)18)20-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyYKSCOEWTQYJPLI-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
4-chloro-6-phenylmethoxyquinolin-3-amine
CID 102614162
4-chloro-6-phenylmethoxyquinoline
CID 23078431
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
(4-chloro-7-phenylmethoxyquinolin-3-yl)methanol
CID 169092914
2-bromo-3-chloro-5-phenylmethoxypyridine
CID 71711003
3-bromo-5-iodo-6-phenylmethoxyquinoline
CID 163232020
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
(4-chloro-7-phenylmethoxyquinolin-3-yl)-(3-fluorophenyl)methanol
CID 169092952
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
2-bromo-6-phenylmethoxynaphthalene
CID 640595

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-6-phenylmethoxyquinoline?
The IUPAC name of 3-bromo-4-chloro-6-phenylmethoxyquinoline (CID 114759884) is 3-bromo-4-chloro-6-phenylmethoxyquinoline.
What is the SMILES notation for 3-bromo-4-chloro-6-phenylmethoxyquinoline?
The canonical SMILES for 3-bromo-4-chloro-6-phenylmethoxyquinoline is Clc1c(Br)cnc2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 3-bromo-4-chloro-6-phenylmethoxyquinoline?
The InChIKey is YKSCOEWTQYJPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-14-9-19-15-7-6-12(8-13(15)16(14)18)20-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 3-bromo-4-chloro-6-phenylmethoxyquinoline?
3-bromo-4-chloro-6-phenylmethoxyquinoline has a molecular weight of 348.63 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-6-phenylmethoxyquinoline is sourced from PubChem (CID 114759884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).