7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one

C16H12ClN5O — CID 172525355

IUPAC7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one
SMILESCCn1cc2c(n1)c(=O)n(-c1ncccn1)c1cc(Cl)ccc21
InChIInChI=1S/C16H12ClN5O/c1-2-21-9-12-11-5-4-10(17)8-13(11)22(15(23)14(12)20-21)16-18-6-3-7-19-16/h3-9H,2H2,1H3
InChIKeyATLVJUVQGSOBOA-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.80
Rot. Bonds2

About 7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one

7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one (PubChem CID 172525355) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is 7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one
PubChem CID172525355
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC Name7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one
SMILESCCn1cc2c(n1)c(=O)n(-c1ncccn1)c1cc(Cl)ccc21
InChIInChI=1S/C16H12ClN5O/c1-2-21-9-12-11-5-4-10(17)8-13(11)22(15(23)14(12)20-21)16-18-6-3-7-19-16/h3-9H,2H2,1H3
InChIKeyATLVJUVQGSOBOA-UHFFFAOYSA-N
XLogP2.80
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one (CID 172525355) is 7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one is CCn1cc2c(n1)c(=O)n(-c1ncccn1)c1cc(Cl)ccc21.
What is the InChIKey of 7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one?
The InChIKey is ATLVJUVQGSOBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O/c1-2-21-9-12-11-5-4-10(17)8-13(11)22(15(23)14(12)20-21)16-18-6-3-7-19-16/h3-9H,2H2,1H3.
What are the key properties of 7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one?
7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one has a molecular weight of 325.76 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-5-pyrimidin-2-ylpyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 172525355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).