2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline

C19H14ClN3 — CID 4610834

IUPAC2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline
SMILESClc1ccccc1Cn1cc(-c2ccc3ccccc3n2)cn1
InChIInChI=1S/C19H14ClN3/c20-17-7-3-1-6-15(17)12-23-13-16(11-21-23)19-10-9-14-5-2-4-8-18(14)22-19/h1-11,13H,12H2
InChIKeyJKLYTJYZCCTQFU-UHFFFAOYSA-N
MW319.80 g/mol
LogP4.80
Rot. Bonds3

About 2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline

2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline (PubChem CID 4610834) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline
PubChem CID4610834
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC Name2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline
SMILESClc1ccccc1Cn1cc(-c2ccc3ccccc3n2)cn1
InChIInChI=1S/C19H14ClN3/c20-17-7-3-1-6-15(17)12-23-13-16(11-21-23)19-10-9-14-5-2-4-8-18(14)22-19/h1-11,13H,12H2
InChIKeyJKLYTJYZCCTQFU-UHFFFAOYSA-N
XLogP4.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline (CID 4610834) is 2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline is Clc1ccccc1Cn1cc(-c2ccc3ccccc3n2)cn1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline?
The InChIKey is JKLYTJYZCCTQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3/c20-17-7-3-1-6-15(17)12-23-13-16(11-21-23)19-10-9-14-5-2-4-8-18(14)22-19/h1-11,13H,12H2.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline?
2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline has a molecular weight of 319.80 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]quinoline is sourced from PubChem (CID 4610834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).