5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline

C16H13BrClN3 — CID 115959841

IUPAC5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline
SMILESCCc1nc(-c2ccc(Br)c3cccnc23)nc(Cl)c1C
InChIInChI=1S/C16H13BrClN3/c1-3-13-9(2)15(18)21-16(20-13)11-6-7-12(17)10-5-4-8-19-14(10)11/h4-8H,3H2,1-2H3
InChIKeySPNCTGNNSYXGHH-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.98
Rot. Bonds2

About 5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline

5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline (PubChem CID 115959841) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline.

Molecular Properties

Compound Name5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline
PubChem CID115959841
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline
SMILESCCc1nc(-c2ccc(Br)c3cccnc23)nc(Cl)c1C
InChIInChI=1S/C16H13BrClN3/c1-3-13-9(2)15(18)21-16(20-13)11-6-7-12(17)10-5-4-8-19-14(10)11/h4-8H,3H2,1-2H3
InChIKeySPNCTGNNSYXGHH-UHFFFAOYSA-N
XLogP4.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
CID 115959843
2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
CID 63549132
3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole
CID 112618266
1-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)isoquinoline
CID 63948621
8-(4-chloro-6-ethyl-5-iodopyrimidin-2-yl)quinoline
CID 66311874
8-(5-bromo-4-chloropyrimidin-2-yl)-5-chloroquinoline
CID 112618090
2-(5-bromoquinolin-8-yl)-N-methylpyrimidin-4-amine
CID 112618401
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 112618320
4-chloro-2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 63549144
5-bromo-8-ethoxyquinoline
CID 100612531
5-bromoquinolin-8-ol;nickel
CID 175092761
4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine
CID 63549645

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline?
The IUPAC name of 5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline (CID 115959841) is 5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline.
What is the SMILES notation for 5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline?
The canonical SMILES for 5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline is CCc1nc(-c2ccc(Br)c3cccnc23)nc(Cl)c1C.
What is the InChIKey of 5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline?
The InChIKey is SPNCTGNNSYXGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c1-3-13-9(2)15(18)21-16(20-13)11-6-7-12(17)10-5-4-8-19-14(10)11/h4-8H,3H2,1-2H3.
What are the key properties of 5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline?
5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline has a molecular weight of 362.66 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline is sourced from PubChem (CID 115959841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).