4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline

C15H11ClIN3 — CID 79234699

IUPAC4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline
SMILESCc1cc(-c2nc(C)c(I)c(Cl)n2)c2ccccc2n1
InChIInChI=1S/C15H11ClIN3/c1-8-7-11(10-5-3-4-6-12(10)18-8)15-19-9(2)13(17)14(16)20-15/h3-7H,1-2H3
InChIKeyIYQROWWCRQRJOX-UHFFFAOYSA-N
MW395.63 g/mol
LogP4.57
Rot. Bonds1

About 4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline

4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline (PubChem CID 79234699) has the molecular formula C15H11ClIN3 and a molecular weight of 395.63 g/mol. Its IUPAC name is 4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline.

Molecular Properties

Compound Name4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline
PubChem CID79234699
Molecular FormulaC15H11ClIN3
Molecular Weight395.63 g/mol
Exact Mass394.97
IUPAC Name4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline
SMILESCc1cc(-c2nc(C)c(I)c(Cl)n2)c2ccccc2n1
InChIInChI=1S/C15H11ClIN3/c1-8-7-11(10-5-3-4-6-12(10)18-8)15-19-9(2)13(17)14(16)20-15/h3-7H,1-2H3
InChIKeyIYQROWWCRQRJOX-UHFFFAOYSA-N
XLogP4.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-iodo-6-methyl-2-naphthalen-1-ylpyrimidine
CID 66293961
4-(2,5-dichlorophenyl)-2-methylquinoline
CID 118801749
2-(2-bromo-5-chlorophenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312236
4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 29293283
4-chloro-2-(2-chloro-4-methylphenyl)quinazoline
CID 106860906
4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine
CID 66313014
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084220
3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine
CID 79235359
2-(2-methylquinolin-4-yl)pyrimidin-4-amine
CID 79234702
4-chloro-2-phenanthren-9-ylquinazoline
CID 139327721
4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine
CID 66312430

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline?
The IUPAC name of 4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline (CID 79234699) is 4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline.
What is the SMILES notation for 4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline?
The canonical SMILES for 4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline is Cc1cc(-c2nc(C)c(I)c(Cl)n2)c2ccccc2n1.
What is the InChIKey of 4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline?
The InChIKey is IYQROWWCRQRJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClIN3/c1-8-7-11(10-5-3-4-6-12(10)18-8)15-19-9(2)13(17)14(16)20-15/h3-7H,1-2H3.
What are the key properties of 4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline?
4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline has a molecular weight of 395.63 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-iodo-6-methylpyrimidin-2-yl)-2-methylquinoline is sourced from PubChem (CID 79234699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).