7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C19H17N3O2 — CID 134508198

IUPAC7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4c(C)c(CO)ccc43)c2=O)cc1
InChIInChI=1S/C19H17N3O2/c1-11-3-6-14(7-4-11)22-19(24)16-9-20-17-12(2)13(10-23)5-8-15(17)18(16)21-22/h3-9,21,23H,10H2,1-2H3
InChIKeyVMVUYHKRFSHMKU-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.98
Rot. Bonds2

About 7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508198) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508198
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4c(C)c(CO)ccc43)c2=O)cc1
InChIInChI=1S/C19H17N3O2/c1-11-3-6-14(7-4-11)22-19(24)16-9-20-17-12(2)13(10-23)5-8-15(17)18(16)21-22/h3-9,21,23H,10H2,1-2H3
InChIKeyVMVUYHKRFSHMKU-UHFFFAOYSA-N
XLogP2.98
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.98
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)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508198) is 7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4c(C)c(CO)ccc43)c2=O)cc1.
What is the InChIKey of 7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is VMVUYHKRFSHMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11-3-6-14(7-4-11)22-19(24)16-9-20-17-12(2)13(10-23)5-8-15(17)18(16)21-22/h3-9,21,23H,10H2,1-2H3.
What are the key properties of 7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 319.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).