7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline

C19H18ClN7 — CID 31408699

IUPAC7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline
SMILESCc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)n2ncnc2n1
InChIInChI=1S/C19H18ClN7/c1-13-10-18(27-19(24-13)22-12-23-27)26-8-6-25(7-9-26)17-4-5-21-16-11-14(20)2-3-15(16)17/h2-5,10-12H,6-9H2,1H3
InChIKeyKLZWZBHKIYOMSJ-UHFFFAOYSA-N
MW379.86 g/mol
LogP2.96
Rot. Bonds2

About 7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline

7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline (PubChem CID 31408699) has the molecular formula C19H18ClN7 and a molecular weight of 379.86 g/mol. Its IUPAC name is 7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline
PubChem CID31408699
Molecular FormulaC19H18ClN7
Molecular Weight379.86 g/mol
Exact Mass379.13
IUPAC Name7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline
SMILESCc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)n2ncnc2n1
InChIInChI=1S/C19H18ClN7/c1-13-10-18(27-19(24-13)22-12-23-27)26-8-6-25(7-9-26)17-4-5-21-16-11-14(20)2-3-15(16)17/h2-5,10-12H,6-9H2,1H3
InChIKeyKLZWZBHKIYOMSJ-UHFFFAOYSA-N
XLogP2.96
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline (CID 31408699) is 7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline is Cc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)n2ncnc2n1.
What is the InChIKey of 7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline?
The InChIKey is KLZWZBHKIYOMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7/c1-13-10-18(27-19(24-13)22-12-23-27)26-8-6-25(7-9-26)17-4-5-21-16-11-14(20)2-3-15(16)17/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline?
7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline has a molecular weight of 379.86 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 31408699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).