3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

C17H13ClN4O2 — CID 135599850

IUPAC3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cl)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C17H13ClN4O2/c1-24-9-6-7-11(18)13(8-9)22-16(19)14-15(21-22)10-4-2-3-5-12(10)20-17(14)23/h2-8H,19H2,1H3,(H,20,23)
InChIKeyCCNLHGSHYDZFSU-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.11
Rot. Bonds2

About 3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599850) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599850
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cl)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C17H13ClN4O2/c1-24-9-6-7-11(18)13(8-9)22-16(19)14-15(21-22)10-4-2-3-5-12(10)20-17(14)23/h2-8H,19H2,1H3,(H,20,23)
InChIKeyCCNLHGSHYDZFSU-UHFFFAOYSA-N
XLogP3.11
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599850) is 3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cl)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1.
What is the InChIKey of 3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is CCNLHGSHYDZFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-24-9-6-7-11(18)13(8-9)22-16(19)14-15(21-22)10-4-2-3-5-12(10)20-17(14)23/h2-8H,19H2,1H3,(H,20,23).
What are the key properties of 3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 340.77 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).