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

C17H13ClN4O — CID 135433912

IUPAC1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(-c2ccc(Cl)c(N)c2)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C17H13ClN4O/c1-9-15-16(23)11-4-2-3-5-14(11)20-17(15)22(21-9)10-6-7-12(18)13(19)8-10/h2-8H,19H2,1H3,(H,20,23)
InChIKeyHMDSJLQDADKLCS-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.41
Rot. Bonds1

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

1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one (PubChem CID 135433912) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one
PubChem CID135433912
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(-c2ccc(Cl)c(N)c2)c2[nH]c3ccccc3c(=O)c12
InChIInChI=1S/C17H13ClN4O/c1-9-15-16(23)11-4-2-3-5-14(11)20-17(15)22(21-9)10-6-7-12(18)13(19)8-10/h2-8H,19H2,1H3,(H,20,23)
InChIKeyHMDSJLQDADKLCS-UHFFFAOYSA-N
XLogP3.41
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one (CID 135433912) is 1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one is Cc1nn(-c2ccc(Cl)c(N)c2)c2[nH]c3ccccc3c(=O)c12.
What is the InChIKey of 1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
The InChIKey is HMDSJLQDADKLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-9-15-16(23)11-4-2-3-5-14(11)20-17(15)22(21-9)10-6-7-12(18)13(19)8-10/h2-8H,19H2,1H3,(H,20,23).
What are the key properties of 1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one?
1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one has a molecular weight of 324.77 g/mol, XLogP of 3.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-chlorophenyl)-3-methyl-9H-pyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 135433912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).