6-bromo-3-ethyl-2-pyridin-4-ylquinoline

C16H13BrN2 — CID 14906160

IUPAC6-bromo-3-ethyl-2-pyridin-4-ylquinoline
SMILESCCc1cc2cc(Br)ccc2nc1-c1ccncc1
InChIInChI=1S/C16H13BrN2/c1-2-11-9-13-10-14(17)3-4-15(13)19-16(11)12-5-7-18-8-6-12/h3-10H,2H2,1H3
InChIKeyFPXYUKMMNRQBTF-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.62
Rot. Bonds2

About 6-bromo-3-ethyl-2-pyridin-4-ylquinoline

6-bromo-3-ethyl-2-pyridin-4-ylquinoline (PubChem CID 14906160) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 6-bromo-3-ethyl-2-pyridin-4-ylquinoline.

Molecular Properties

Compound Name6-bromo-3-ethyl-2-pyridin-4-ylquinoline
PubChem CID14906160
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name6-bromo-3-ethyl-2-pyridin-4-ylquinoline
SMILESCCc1cc2cc(Br)ccc2nc1-c1ccncc1
InChIInChI=1S/C16H13BrN2/c1-2-11-9-13-10-14(17)3-4-15(13)19-16(11)12-5-7-18-8-6-12/h3-10H,2H2,1H3
InChIKeyFPXYUKMMNRQBTF-UHFFFAOYSA-N
XLogP4.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylquinoline
CID 10285
3-Methylquinoline
CID 11926
4-(4-Dimethylaminostyryl)quinoline
CID 668053
Phenanthridine
CID 9189
7-Bromoquinoline
CID 521259
1,10-Phenanthroline, 5-bromo-
CID 148335
3-Bromoquinoline
CID 21413
6-Bromoquinoline
CID 79243
3-((E)-Styryl)-quinoline
CID 10243001
6,6'-Biquinoline
CID 620711
2-[(E)-2-pyridin-3-ylethenyl]quinoline
CID 5376707
4-Butylquinoline
CID 14641784

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-2-pyridin-4-ylquinoline?
The IUPAC name of 6-bromo-3-ethyl-2-pyridin-4-ylquinoline (CID 14906160) is 6-bromo-3-ethyl-2-pyridin-4-ylquinoline.
What is the SMILES notation for 6-bromo-3-ethyl-2-pyridin-4-ylquinoline?
The canonical SMILES for 6-bromo-3-ethyl-2-pyridin-4-ylquinoline is CCc1cc2cc(Br)ccc2nc1-c1ccncc1.
What is the InChIKey of 6-bromo-3-ethyl-2-pyridin-4-ylquinoline?
The InChIKey is FPXYUKMMNRQBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c1-2-11-9-13-10-14(17)3-4-15(13)19-16(11)12-5-7-18-8-6-12/h3-10H,2H2,1H3.
What are the key properties of 6-bromo-3-ethyl-2-pyridin-4-ylquinoline?
6-bromo-3-ethyl-2-pyridin-4-ylquinoline has a molecular weight of 313.20 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-2-pyridin-4-ylquinoline is sourced from PubChem (CID 14906160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).