[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone

C19H13ClN4O2 — CID 134147544

IUPAC[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone
SMILESNc1c(C(=O)c2ccc3ncccc3c2)cnn1-c1cc(O)ccc1Cl
InChIInChI=1S/C19H13ClN4O2/c20-15-5-4-13(25)9-17(15)24-19(21)14(10-23-24)18(26)12-3-6-16-11(8-12)2-1-7-22-16/h1-10,25H,21H2
InChIKeyFPKUEZLSSIDWJS-UHFFFAOYSA-N
MW364.79 g/mol
LogP3.59
Rot. Bonds3

About [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone

[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone (PubChem CID 134147544) has the molecular formula C19H13ClN4O2 and a molecular weight of 364.79 g/mol. Its IUPAC name is [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone
PubChem CID134147544
Molecular FormulaC19H13ClN4O2
Molecular Weight364.79 g/mol
Exact Mass364.07
IUPAC Name[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone
SMILESNc1c(C(=O)c2ccc3ncccc3c2)cnn1-c1cc(O)ccc1Cl
InChIInChI=1S/C19H13ClN4O2/c20-15-5-4-13(25)9-17(15)24-19(21)14(10-23-24)18(26)12-3-6-16-11(8-12)2-1-7-22-16/h1-10,25H,21H2
InChIKeyFPKUEZLSSIDWJS-UHFFFAOYSA-N
XLogP3.59
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone?
The IUPAC name of [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone (CID 134147544) is [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone is Nc1c(C(=O)c2ccc3ncccc3c2)cnn1-c1cc(O)ccc1Cl.
What is the InChIKey of [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone?
The InChIKey is FPKUEZLSSIDWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O2/c20-15-5-4-13(25)9-17(15)24-19(21)14(10-23-24)18(26)12-3-6-16-11(8-12)2-1-7-22-16/h1-10,25H,21H2.
What are the key properties of [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone?
[5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone has a molecular weight of 364.79 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-chloro-5-hydroxyphenyl)pyrazol-4-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 134147544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).