9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C19H17ClN4 — CID 66576852

IUPAC9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2n1-c1c(Cl)cc(-c3cnccc3C3CC3)cc1CC2
InChIInChI=1S/C19H17ClN4/c1-11-22-23-18-5-4-13-8-14(9-17(20)19(13)24(11)18)16-10-21-7-6-15(16)12-2-3-12/h6-10,12H,2-5H2,1H3
InChIKeyBMTHHLLPARVMJH-UHFFFAOYSA-N
MW336.83 g/mol
LogP4.27
Rot. Bonds2

About 9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 66576852) has the molecular formula C19H17ClN4 and a molecular weight of 336.83 g/mol. Its IUPAC name is 9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID66576852
Molecular FormulaC19H17ClN4
Molecular Weight336.83 g/mol
Exact Mass336.11
IUPAC Name9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2n1-c1c(Cl)cc(-c3cnccc3C3CC3)cc1CC2
InChIInChI=1S/C19H17ClN4/c1-11-22-23-18-5-4-13-8-14(9-17(20)19(13)24(11)18)16-10-21-7-6-15(16)12-2-3-12/h6-10,12H,2-5H2,1H3
InChIKeyBMTHHLLPARVMJH-UHFFFAOYSA-N
XLogP4.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 66576852) is 9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Cc1nnc2n1-c1c(Cl)cc(-c3cnccc3C3CC3)cc1CC2.
What is the InChIKey of 9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is BMTHHLLPARVMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4/c1-11-22-23-18-5-4-13-8-14(9-17(20)19(13)24(11)18)16-10-21-7-6-15(16)12-2-3-12/h6-10,12H,2-5H2,1H3.
What are the key properties of 9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 336.83 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7-(4-cyclopropyl-3-pyridinyl)-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 66576852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).