7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C18H15N3O2 — CID 134508207

IUPAC7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cc1
InChIInChI=1S/C18H15N3O2/c1-11-2-5-13(6-3-11)21-18(23)15-9-19-16-8-12(10-22)4-7-14(16)17(15)20-21/h2-9,20,22H,10H2,1H3
InChIKeyXIPLGLVXSHPPKI-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.67
Rot. Bonds2

About 7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508207) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508207
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cc1
InChIInChI=1S/C18H15N3O2/c1-11-2-5-13(6-3-11)21-18(23)15-9-19-16-8-12(10-22)4-7-14(16)17(15)20-21/h2-9,20,22H,10H2,1H3
InChIKeyXIPLGLVXSHPPKI-UHFFFAOYSA-N
XLogP2.67
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508207) is 7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cc1.
What is the InChIKey of 7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is XIPLGLVXSHPPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-2-5-13(6-3-11)21-18(23)15-9-19-16-8-12(10-22)4-7-14(16)17(15)20-21/h2-9,20,22H,10H2,1H3.
What are the key properties of 7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 305.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).