6-[(4-bromoindol-1-yl)methyl]quinoline

C18H13BrN2 — CID 116626190

IUPAC6-[(4-bromoindol-1-yl)methyl]quinoline
SMILESBrc1cccc2c1ccn2Cc1ccc2ncccc2c1
InChIInChI=1S/C18H13BrN2/c19-16-4-1-5-18-15(16)8-10-21(18)12-13-6-7-17-14(11-13)3-2-9-20-17/h1-11H,12H2
InChIKeyXCXMUMVQENKNLP-UHFFFAOYSA-N
MW337.22 g/mol
LogP5.00
Rot. Bonds2

About 6-[(4-bromoindol-1-yl)methyl]quinoline

6-[(4-bromoindol-1-yl)methyl]quinoline (PubChem CID 116626190) has the molecular formula C18H13BrN2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 6-[(4-bromoindol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(4-bromoindol-1-yl)methyl]quinoline
PubChem CID116626190
Molecular FormulaC18H13BrN2
Molecular Weight337.22 g/mol
Exact Mass336.03
IUPAC Name6-[(4-bromoindol-1-yl)methyl]quinoline
SMILESBrc1cccc2c1ccn2Cc1ccc2ncccc2c1
InChIInChI=1S/C18H13BrN2/c19-16-4-1-5-18-15(16)8-10-21(18)12-13-6-7-17-14(11-13)3-2-9-20-17/h1-11H,12H2
InChIKeyXCXMUMVQENKNLP-UHFFFAOYSA-N
XLogP5.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.22
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[(3,4-dichlorophenyl)methyl]indole
CID 116626065
4-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116625944
4-bromo-1-[(3-chlorophenyl)methyl]indole
CID 116626137
4-bromo-1-[(3-bromo-5-fluorophenyl)methyl]indole
CID 116625940
6-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]quinoline
CID 171999212
1-(quinolin-6-ylmethyl)indazol-3-amine
CID 62687491
6-[(4-methylidene-1-pyridinyl)methyl]quinoline
CID 142002003
5-bromo-1-(quinolin-6-ylmethyl)-1,2,4-triazol-3-amine
CID 103098719
1-[(3-bromo-4-methoxyphenyl)methyl]-4-methoxyindole
CID 83165932
6-(2-bromoethyl)quinoline
CID 68811984
4-bromo-1-(2-pyridin-4-ylethyl)indole
CID 116625918
2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromoindol-1-yl)methyl]quinoline?
The IUPAC name of 6-[(4-bromoindol-1-yl)methyl]quinoline (CID 116626190) is 6-[(4-bromoindol-1-yl)methyl]quinoline.
What is the SMILES notation for 6-[(4-bromoindol-1-yl)methyl]quinoline?
The canonical SMILES for 6-[(4-bromoindol-1-yl)methyl]quinoline is Brc1cccc2c1ccn2Cc1ccc2ncccc2c1.
What is the InChIKey of 6-[(4-bromoindol-1-yl)methyl]quinoline?
The InChIKey is XCXMUMVQENKNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2/c19-16-4-1-5-18-15(16)8-10-21(18)12-13-6-7-17-14(11-13)3-2-9-20-17/h1-11H,12H2.
What are the key properties of 6-[(4-bromoindol-1-yl)methyl]quinoline?
6-[(4-bromoindol-1-yl)methyl]quinoline has a molecular weight of 337.22 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromoindol-1-yl)methyl]quinoline is sourced from PubChem (CID 116626190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).