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

C18H16N4O2 — CID 135600014

IUPAC3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(C)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C18H16N4O2/c1-10-7-8-11(24-2)9-14(10)22-17(19)15-16(21-22)12-5-3-4-6-13(12)20-18(15)23/h3-9H,19H2,1-2H3,(H,20,23)
InChIKeyHAZQVRDIIZJXGS-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.77
Rot. Bonds2

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

3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135600014) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135600014
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(C)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1
InChIInChI=1S/C18H16N4O2/c1-10-7-8-11(24-2)9-14(10)22-17(19)15-16(21-22)12-5-3-4-6-13(12)20-18(15)23/h3-9H,19H2,1-2H3,(H,20,23)
InChIKeyHAZQVRDIIZJXGS-UHFFFAOYSA-N
XLogP2.77
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135600014) is 3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is COc1ccc(C)c(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c1.
What is the InChIKey of 3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is HAZQVRDIIZJXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-10-7-8-11(24-2)9-14(10)22-17(19)15-16(21-22)12-5-3-4-6-13(12)20-18(15)23/h3-9H,19H2,1-2H3,(H,20,23).
What are the key properties of 3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 320.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-methoxy-2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135600014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).