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

C17H14N4O2 — CID 135599982

IUPAC3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cccc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C17H14N4O2/c1-23-11-6-4-5-10(9-11)21-16(18)14-15(20-21)12-7-2-3-8-13(12)19-17(14)22/h2-9H,18H2,1H3,(H,19,22)
InChIKeyWAUZHZZIELNHGC-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.46
Rot. Bonds2

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

3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135599982) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135599982
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cccc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C17H14N4O2/c1-23-11-6-4-5-10(9-11)21-16(18)14-15(20-21)12-7-2-3-8-13(12)19-17(14)22/h2-9H,18H2,1H3,(H,19,22)
InChIKeyWAUZHZZIELNHGC-UHFFFAOYSA-N
XLogP2.46
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135599982) is 3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is COc1cccc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1.
What is the InChIKey of 3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is WAUZHZZIELNHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-23-11-6-4-5-10(9-11)21-16(18)14-15(20-21)12-7-2-3-8-13(12)19-17(14)22/h2-9H,18H2,1H3,(H,19,22).
What are the key properties of 3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 306.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135599982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).