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

C17H12Cl2N4O2 — CID 135599898

IUPAC3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2N4O2/c1-25-13-7-12(9(18)6-10(13)19)23-16(20)14-15(22-23)8-4-2-3-5-11(8)21-17(14)24/h2-7H,20H2,1H3,(H,21,24)
InChIKeyPYEHOSDNUJVECA-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.76
Rot. Bonds2

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

3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599898) has the molecular formula C17H12Cl2N4O2 and a molecular weight of 375.22 g/mol. Its IUPAC name is 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599898
Molecular FormulaC17H12Cl2N4O2
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2N4O2/c1-25-13-7-12(9(18)6-10(13)19)23-16(20)14-15(22-23)8-4-2-3-5-11(8)21-17(14)24/h2-7H,20H2,1H3,(H,21,24)
InChIKeyPYEHOSDNUJVECA-UHFFFAOYSA-N
XLogP3.76
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599898) is 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is COc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(Cl)cc1Cl.
What is the InChIKey of 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is PYEHOSDNUJVECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O2/c1-25-13-7-12(9(18)6-10(13)19)23-16(20)14-15(22-23)8-4-2-3-5-11(8)21-17(14)24/h2-7H,20H2,1H3,(H,21,24).
What are the key properties of 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 375.22 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).