1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one

C18H15N3O2 — CID 135464119

IUPAC1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCOc1cccc(-n2nc(C)c3c(=O)c4ccccc4[nH]c32)c1
InChIInChI=1S/C18H15N3O2/c1-11-16-17(22)14-8-3-4-9-15(14)19-18(16)21(20-11)12-6-5-7-13(10-12)23-2/h3-10H,1-2H3,(H,19,22)
InChIKeyOWCVCTNSVLUYJX-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.18
Rot. Bonds2

About 1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one

1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one (PubChem CID 135464119) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one
PubChem CID135464119
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCOc1cccc(-n2nc(C)c3c(=O)c4ccccc4[nH]c32)c1
InChIInChI=1S/C18H15N3O2/c1-11-16-17(22)14-8-3-4-9-15(14)19-18(16)21(20-11)12-6-5-7-13(10-12)23-2/h3-10H,1-2H3,(H,19,22)
InChIKeyOWCVCTNSVLUYJX-UHFFFAOYSA-N
XLogP3.18
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one (CID 135464119) is 1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one is COc1cccc(-n2nc(C)c3c(=O)c4ccccc4[nH]c32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
The InChIKey is OWCVCTNSVLUYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-16-17(22)14-8-3-4-9-15(14)19-18(16)21(20-11)12-6-5-7-13(10-12)23-2/h3-10H,1-2H3,(H,19,22).
What are the key properties of 1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one has a molecular weight of 305.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 135464119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).