7-(6-chloro-5-methylpyrimidin-4-yl)quinoline

C14H10ClN3 — CID 77230233

IUPAC7-(6-chloro-5-methylpyrimidin-4-yl)quinoline
SMILESCc1c(Cl)ncnc1-c1ccc2cccnc2c1
InChIInChI=1S/C14H10ClN3/c1-9-13(17-8-18-14(9)15)11-5-4-10-3-2-6-16-12(10)7-11/h2-8H,1H3
InChIKeyGOAOPCQMDNEJSS-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.65
Rot. Bonds1

About 7-(6-chloro-5-methylpyrimidin-4-yl)quinoline

7-(6-chloro-5-methylpyrimidin-4-yl)quinoline (PubChem CID 77230233) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 7-(6-chloro-5-methylpyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name7-(6-chloro-5-methylpyrimidin-4-yl)quinoline
PubChem CID77230233
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name7-(6-chloro-5-methylpyrimidin-4-yl)quinoline
SMILESCc1c(Cl)ncnc1-c1ccc2cccnc2c1
InChIInChI=1S/C14H10ClN3/c1-9-13(17-8-18-14(9)15)11-5-4-10-3-2-6-16-12(10)7-11/h2-8H,1H3
InChIKeyGOAOPCQMDNEJSS-UHFFFAOYSA-N
XLogP3.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(6-chloro-5-methylpyrimidin-4-yl)quinoline?
The IUPAC name of 7-(6-chloro-5-methylpyrimidin-4-yl)quinoline (CID 77230233) is 7-(6-chloro-5-methylpyrimidin-4-yl)quinoline.
What is the SMILES notation for 7-(6-chloro-5-methylpyrimidin-4-yl)quinoline?
The canonical SMILES for 7-(6-chloro-5-methylpyrimidin-4-yl)quinoline is Cc1c(Cl)ncnc1-c1ccc2cccnc2c1.
What is the InChIKey of 7-(6-chloro-5-methylpyrimidin-4-yl)quinoline?
The InChIKey is GOAOPCQMDNEJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c1-9-13(17-8-18-14(9)15)11-5-4-10-3-2-6-16-12(10)7-11/h2-8H,1H3.
What are the key properties of 7-(6-chloro-5-methylpyrimidin-4-yl)quinoline?
7-(6-chloro-5-methylpyrimidin-4-yl)quinoline has a molecular weight of 255.71 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-chloro-5-methylpyrimidin-4-yl)quinoline is sourced from PubChem (CID 77230233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).