N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide

C14H13ClN4O — CID 21217689

IUPACN-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide
SMILESCCn1ncc2c(Cl)c3cc(NC(C)=O)ccc3nc21
InChIInChI=1S/C14H13ClN4O/c1-3-19-14-11(7-16-19)13(15)10-6-9(17-8(2)20)4-5-12(10)18-14/h4-7H,3H2,1-2H3,(H,17,20)
InChIKeyUOOBHRPTDUUZGS-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.22
Rot. Bonds2

About N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide

N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide (PubChem CID 21217689) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide
PubChem CID21217689
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC NameN-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide
SMILESCCn1ncc2c(Cl)c3cc(NC(C)=O)ccc3nc21
InChIInChI=1S/C14H13ClN4O/c1-3-19-14-11(7-16-19)13(15)10-6-9(17-8(2)20)4-5-12(10)18-14/h4-7H,3H2,1-2H3,(H,17,20)
InChIKeyUOOBHRPTDUUZGS-UHFFFAOYSA-N
XLogP3.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide?
The IUPAC name of N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide (CID 21217689) is N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide.
What is the SMILES notation for N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide?
The canonical SMILES for N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide is CCn1ncc2c(Cl)c3cc(NC(C)=O)ccc3nc21.
What is the InChIKey of N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide?
The InChIKey is UOOBHRPTDUUZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-3-19-14-11(7-16-19)13(15)10-6-9(17-8(2)20)4-5-12(10)18-14/h4-7H,3H2,1-2H3,(H,17,20).
What are the key properties of N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide?
N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide has a molecular weight of 288.74 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-ethylpyrazolo[3,4-b]quinolin-6-yl)acetamide is sourced from PubChem (CID 21217689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).