3-bromo-5-iodo-6-phenylmethoxyquinoline

C16H11BrINO — CID 163232020

IUPAC3-bromo-5-iodo-6-phenylmethoxyquinoline
SMILESBrc1cnc2ccc(OCc3ccccc3)c(I)c2c1
InChIInChI=1S/C16H11BrINO/c17-12-8-13-14(19-9-12)6-7-15(16(13)18)20-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyTWLNZDCTCKQMEH-UHFFFAOYSA-N
MW440.08 g/mol
LogP5.18
Rot. Bonds3

About 3-bromo-5-iodo-6-phenylmethoxyquinoline

3-bromo-5-iodo-6-phenylmethoxyquinoline (PubChem CID 163232020) has the molecular formula C16H11BrINO and a molecular weight of 440.08 g/mol. Its IUPAC name is 3-bromo-5-iodo-6-phenylmethoxyquinoline.

Molecular Properties

Compound Name3-bromo-5-iodo-6-phenylmethoxyquinoline
PubChem CID163232020
Molecular FormulaC16H11BrINO
Molecular Weight440.08 g/mol
Exact Mass438.91
IUPAC Name3-bromo-5-iodo-6-phenylmethoxyquinoline
SMILESBrc1cnc2ccc(OCc3ccccc3)c(I)c2c1
InChIInChI=1S/C16H11BrINO/c17-12-8-13-14(19-9-12)6-7-15(16(13)18)20-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyTWLNZDCTCKQMEH-UHFFFAOYSA-N
XLogP5.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.08
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-6-phenylmethoxyquinolin-5-yl)oxypropyl carbamate
CID 175464162
3-bromo-4-chloro-6-phenylmethoxyquinoline
CID 114759884
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356
1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
3-bromo-5-phenylmethoxypyridine
CID 15389198
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
3-iodo-2,4-bis(phenylmethoxy)pyridine
CID 166168867
4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
CID 130119797
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
1-(2-bromo-3-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863476
6-phenylmethoxyquinolin-5-amine
CID 43809775

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodo-6-phenylmethoxyquinoline?
The IUPAC name of 3-bromo-5-iodo-6-phenylmethoxyquinoline (CID 163232020) is 3-bromo-5-iodo-6-phenylmethoxyquinoline.
What is the SMILES notation for 3-bromo-5-iodo-6-phenylmethoxyquinoline?
The canonical SMILES for 3-bromo-5-iodo-6-phenylmethoxyquinoline is Brc1cnc2ccc(OCc3ccccc3)c(I)c2c1.
What is the InChIKey of 3-bromo-5-iodo-6-phenylmethoxyquinoline?
The InChIKey is TWLNZDCTCKQMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrINO/c17-12-8-13-14(19-9-12)6-7-15(16(13)18)20-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 3-bromo-5-iodo-6-phenylmethoxyquinoline?
3-bromo-5-iodo-6-phenylmethoxyquinoline has a molecular weight of 440.08 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodo-6-phenylmethoxyquinoline is sourced from PubChem (CID 163232020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).