6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide

C20H16ClN5O — CID 51130808

IUPAC6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C20H16ClN5O/c21-16-12-15-2-1-7-23-19(15)17(13-16)20(27)24-18-6-11-26(25-18)10-5-14-3-8-22-9-4-14/h1-4,6-9,11-13H,5,10H2,(H,24,25,27)
InChIKeyFHFIAIXTNKQWFG-UHFFFAOYSA-N
MW377.84 g/mol
LogP3.97
Rot. Bonds5

About 6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide

6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide (PubChem CID 51130808) has the molecular formula C20H16ClN5O and a molecular weight of 377.84 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide
PubChem CID51130808
Molecular FormulaC20H16ClN5O
Molecular Weight377.84 g/mol
Exact Mass377.10
IUPAC Name6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C20H16ClN5O/c21-16-12-15-2-1-7-23-19(15)17(13-16)20(27)24-18-6-11-26(25-18)10-5-14-3-8-22-9-4-14/h1-4,6-9,11-13H,5,10H2,(H,24,25,27)
InChIKeyFHFIAIXTNKQWFG-UHFFFAOYSA-N
XLogP3.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089636
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1-benzothiophene-2-carboxamide
CID 47091413
2-(3-chlorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
CID 138989610
2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide
CID 49497172
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604
ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 138989642
6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55871851
2-(4-fluorophenyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]triazole-4-carboxamide
CID 138989638
1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173
4-(4-propan-2-ylphenoxy)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]butanamide
CID 166223342
2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283683
4-bromo-5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 56561605

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide (CID 51130808) is 6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide is O=C(Nc1ccn(CCc2ccncc2)n1)c1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide?
The InChIKey is FHFIAIXTNKQWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O/c21-16-12-15-2-1-7-23-19(15)17(13-16)20(27)24-18-6-11-26(25-18)10-5-14-3-8-22-9-4-14/h1-4,6-9,11-13H,5,10H2,(H,24,25,27).
What are the key properties of 6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide?
6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]quinoline-8-carboxamide is sourced from PubChem (CID 51130808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).