5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline

C14H8BrCl2N3 — CID 115959843

IUPAC5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
SMILESCc1c(Cl)nc(-c2ccc(Br)c3cccnc23)nc1Cl
InChIInChI=1S/C14H8BrCl2N3/c1-7-12(16)19-14(20-13(7)17)9-4-5-10(15)8-3-2-6-18-11(8)9/h2-6H,1H3
InChIKeyJNFJMFXRHOGSAL-UHFFFAOYSA-N
MW369.05 g/mol
LogP5.07
Rot. Bonds1

About 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline

5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline (PubChem CID 115959843) has the molecular formula C14H8BrCl2N3 and a molecular weight of 369.05 g/mol. Its IUPAC name is 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline.

Molecular Properties

Compound Name5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
PubChem CID115959843
Molecular FormulaC14H8BrCl2N3
Molecular Weight369.05 g/mol
Exact Mass366.93
IUPAC Name5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline
SMILESCc1c(Cl)nc(-c2ccc(Br)c3cccnc23)nc1Cl
InChIInChI=1S/C14H8BrCl2N3/c1-7-12(16)19-14(20-13(7)17)9-4-5-10(15)8-3-2-6-18-11(8)9/h2-6H,1H3
InChIKeyJNFJMFXRHOGSAL-UHFFFAOYSA-N
XLogP5.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.05
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-8-(4-chloro-6-ethyl-5-methylpyrimidin-2-yl)quinoline
CID 115959841
3-(5-bromoquinolin-8-yl)-5-chloro-1,2,4-oxadiazole
CID 112618266
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
1-[2-(5-bromoquinolin-8-yl)-1,3-thiazol-4-yl]ethanone
CID 112618305
2-(5-chloroquinolin-8-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 115960312
5-bromo-2-(5-bromoquinolin-8-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115959811
4-(5-bromoquinolin-8-yl)-1,3-thiazol-5-amine
CID 112618374
methyl 2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115959773
2,4-bis(4-bromonaphthalen-1-yl)-6-chloro-1,3,5-triazine
CID 129258763
5-bromoquinolin-8-ol;nickel
CID 175092761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline?
The IUPAC name of 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline (CID 115959843) is 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline.
What is the SMILES notation for 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline?
The canonical SMILES for 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline is Cc1c(Cl)nc(-c2ccc(Br)c3cccnc23)nc1Cl.
What is the InChIKey of 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline?
The InChIKey is JNFJMFXRHOGSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2N3/c1-7-12(16)19-14(20-13(7)17)9-4-5-10(15)8-3-2-6-18-11(8)9/h2-6H,1H3.
What are the key properties of 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline?
5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline has a molecular weight of 369.05 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(4,6-dichloro-5-methylpyrimidin-2-yl)quinoline is sourced from PubChem (CID 115959843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).