6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile

C20H19ClN6 — CID 133448600

IUPAC6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1N1CCC(c2nncn2C2CC2)CC1
InChIInChI=1S/C20H19ClN6/c21-15-1-4-18-17(9-15)19(14(10-22)11-23-18)26-7-5-13(6-8-26)20-25-24-12-27(20)16-2-3-16/h1,4,9,11-13,16H,2-3,5-8H2
InChIKeyVNMSFLXBOIPLPI-UHFFFAOYSA-N
MW378.87 g/mol
LogP4.07
Rot. Bonds3

About 6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile

6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 133448600) has the molecular formula C20H19ClN6 and a molecular weight of 378.87 g/mol. Its IUPAC name is 6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID133448600
Molecular FormulaC20H19ClN6
Molecular Weight378.87 g/mol
Exact Mass378.14
IUPAC Name6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)cc2c1N1CCC(c2nncn2C2CC2)CC1
InChIInChI=1S/C20H19ClN6/c21-15-1-4-18-17(9-15)19(14(10-22)11-23-18)26-7-5-13(6-8-26)20-25-24-12-27(20)16-2-3-16/h1,4,9,11-13,16H,2-3,5-8H2
InChIKeyVNMSFLXBOIPLPI-UHFFFAOYSA-N
XLogP4.07
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile (CID 133448600) is 6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile is N#Cc1cnc2ccc(Cl)cc2c1N1CCC(c2nncn2C2CC2)CC1.
What is the InChIKey of 6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is VNMSFLXBOIPLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6/c21-15-1-4-18-17(9-15)19(14(10-22)11-23-18)26-7-5-13(6-8-26)20-25-24-12-27(20)16-2-3-16/h1,4,9,11-13,16H,2-3,5-8H2.
What are the key properties of 6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile?
6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 378.87 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133448600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).