6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one

C12H10ClN3O2 — CID 178182422

IUPAC6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCn1cc2c(=O)[nH]c3c(Cl)c(CO)ccc3c2n1
InChIInChI=1S/C12H10ClN3O2/c1-16-4-8-10(15-16)7-3-2-6(5-17)9(13)11(7)14-12(8)18/h2-4,17H,5H2,1H3,(H,14,18)
InChIKeyPNIINMXHICZDGR-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.56
Rot. Bonds1

About 6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one

6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 178182422) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID178182422
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCn1cc2c(=O)[nH]c3c(Cl)c(CO)ccc3c2n1
InChIInChI=1S/C12H10ClN3O2/c1-16-4-8-10(15-16)7-3-2-6(5-17)9(13)11(7)14-12(8)18/h2-4,17H,5H2,1H3,(H,14,18)
InChIKeyPNIINMXHICZDGR-UHFFFAOYSA-N
XLogP1.56
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one (CID 178182422) is 6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one is Cn1cc2c(=O)[nH]c3c(Cl)c(CO)ccc3c2n1.
What is the InChIKey of 6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is PNIINMXHICZDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-16-4-8-10(15-16)7-3-2-6(5-17)9(13)11(7)14-12(8)18/h2-4,17H,5H2,1H3,(H,14,18).
What are the key properties of 6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one?
6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 263.68 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(hydroxymethyl)-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 178182422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).