5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline

C17H11ClN4 — CID 177329473

IUPAC5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline
SMILESClc1ccc(-n2cc(-c3cccnc3)cn2)c2ncccc12
InChIInChI=1S/C17H11ClN4/c18-15-5-6-16(17-14(15)4-2-8-20-17)22-11-13(10-21-22)12-3-1-7-19-9-12/h1-11H
InChIKeyBNZDRQDMARKTIT-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.14
Rot. Bonds2

About 5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline

5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline (PubChem CID 177329473) has the molecular formula C17H11ClN4 and a molecular weight of 306.76 g/mol. Its IUPAC name is 5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline.

Molecular Properties

Compound Name5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline
PubChem CID177329473
Molecular FormulaC17H11ClN4
Molecular Weight306.76 g/mol
Exact Mass306.07
IUPAC Name5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline
SMILESClc1ccc(-n2cc(-c3cccnc3)cn2)c2ncccc12
InChIInChI=1S/C17H11ClN4/c18-15-5-6-16(17-14(15)4-2-8-20-17)22-11-13(10-21-22)12-3-1-7-19-9-12/h1-11H
InChIKeyBNZDRQDMARKTIT-UHFFFAOYSA-N
XLogP4.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-chloroquinolin-8-yl)triazol-4-yl]ethanol
CID 116785483
aluminum tris(5-chloroquinolin-8-olate)
CID 67131824
5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
CID 116785568
CID 172791001
CID 172791001
N-[[1-(5-chloroquinolin-8-yl)triazol-4-yl]methyl]ethanamine
CID 116785439
4-chloro-5-(4-chloropyrazol-1-yl)-2-pyridin-3-yl-1,3-thiazole
CID 71235469
3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine
CID 81234038
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
potassium;5-chloroquinolin-8-ol;hydride
CID 174478922
CID 6367063
CID 6367063
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
CID 116785599

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline?
The IUPAC name of 5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline (CID 177329473) is 5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline.
What is the SMILES notation for 5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline?
The canonical SMILES for 5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline is Clc1ccc(-n2cc(-c3cccnc3)cn2)c2ncccc12.
What is the InChIKey of 5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline?
The InChIKey is BNZDRQDMARKTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4/c18-15-5-6-16(17-14(15)4-2-8-20-17)22-11-13(10-21-22)12-3-1-7-19-9-12/h1-11H.
What are the key properties of 5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline?
5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline has a molecular weight of 306.76 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(4-pyridin-3-ylpyrazol-1-yl)quinoline is sourced from PubChem (CID 177329473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).