7-bromo-8-methyl-2-quinolin-2-ylquinoline

C19H13BrN2 — CID 175727563

IUPAC7-bromo-8-methyl-2-quinolin-2-ylquinoline
SMILESCc1c(Br)ccc2ccc(-c3ccc4ccccc4n3)nc12
InChIInChI=1S/C19H13BrN2/c1-12-15(20)9-6-14-8-11-18(22-19(12)14)17-10-7-13-4-2-3-5-16(13)21-17/h2-11H,1H3
InChIKeyULNQEKJCIPAQSR-UHFFFAOYSA-N
MW349.23 g/mol
LogP5.52
Rot. Bonds1

About 7-bromo-8-methyl-2-quinolin-2-ylquinoline

7-bromo-8-methyl-2-quinolin-2-ylquinoline (PubChem CID 175727563) has the molecular formula C19H13BrN2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 7-bromo-8-methyl-2-quinolin-2-ylquinoline.

Molecular Properties

Compound Name7-bromo-8-methyl-2-quinolin-2-ylquinoline
PubChem CID175727563
Molecular FormulaC19H13BrN2
Molecular Weight349.23 g/mol
Exact Mass348.03
IUPAC Name7-bromo-8-methyl-2-quinolin-2-ylquinoline
SMILESCc1c(Br)ccc2ccc(-c3ccc4ccccc4n3)nc12
InChIInChI=1S/C19H13BrN2/c1-12-15(20)9-6-14-8-11-18(22-19(12)14)17-10-7-13-4-2-3-5-16(13)21-17/h2-11H,1H3
InChIKeyULNQEKJCIPAQSR-UHFFFAOYSA-N
XLogP5.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-quinolin-2-ylbenzo[b][1,10]phenanthroline
CID 11371746
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
2-(2-methylcyclopenten-1-yl)quinoline
CID 70989557
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
2-(5-methyl-2H-pyrrol-3-yl)quinoline
CID 160955345
2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one
CID 142684141
iridium;tris(2-phenylquinoline)
CID 122129463
N-methyl-6-quinolin-2-ylpyridin-2-amine
CID 116645331
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline
CID 54424126
3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole
CID 102943376
2-(2,5-dimethylphenyl)quinoline
CID 1202732

Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-methyl-2-quinolin-2-ylquinoline?
The IUPAC name of 7-bromo-8-methyl-2-quinolin-2-ylquinoline (CID 175727563) is 7-bromo-8-methyl-2-quinolin-2-ylquinoline.
What is the SMILES notation for 7-bromo-8-methyl-2-quinolin-2-ylquinoline?
The canonical SMILES for 7-bromo-8-methyl-2-quinolin-2-ylquinoline is Cc1c(Br)ccc2ccc(-c3ccc4ccccc4n3)nc12.
What is the InChIKey of 7-bromo-8-methyl-2-quinolin-2-ylquinoline?
The InChIKey is ULNQEKJCIPAQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2/c1-12-15(20)9-6-14-8-11-18(22-19(12)14)17-10-7-13-4-2-3-5-16(13)21-17/h2-11H,1H3.
What are the key properties of 7-bromo-8-methyl-2-quinolin-2-ylquinoline?
7-bromo-8-methyl-2-quinolin-2-ylquinoline has a molecular weight of 349.23 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-methyl-2-quinolin-2-ylquinoline is sourced from PubChem (CID 175727563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).