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

About 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one

8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 158365601) has the molecular formula C34H26ClN7O3 and a molecular weight of 616.08 g/mol. Its IUPAC name is 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name	8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID	158365601
Molecular Formula	C34H26ClN7O3
Molecular Weight	616.08 g/mol
Exact Mass	615.18
IUPAC Name	8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILES	Cc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.Cc1ccccc1-n1[nH]c2c(cnc3ccc(Cl)cc32)c1=O
InChI	InChI=1S/C17H12ClN3O.C17H14N4O2/c1-10-4-2-3-5-15(10)21-17(22)13-9-19-14-7-6-11(18)8-12(14)16(13)20-21;1-10-2-4-12(7-18-10)21-17(23)14-8-19-15-6-11(9-22)3-5-13(15)16(14)20-21/h2-9,20H,1H3;2-8,20,22H,9H2,1H3
InChIKey	ZSAADWOHUCUCFG-UHFFFAOYSA-N
XLogP	5.89
TPSA	134.48 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.08
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 158365601) is 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

What is the SMILES notation for 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The canonical SMILES for 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cn1.Cc1ccccc1-n1[nH]c2c(cnc3ccc(Cl)cc32)c1=O.

What is the InChIKey of 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is ZSAADWOHUCUCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O.C17H14N4O2/c1-10-4-2-3-5-15(10)21-17(22)13-9-19-14-7-6-11(18)8-12(14)16(13)20-21;1-10-2-4-12(7-18-10)21-17(23)14-8-19-15-6-11(9-22)3-5-13(15)16(14)20-21/h2-9,20H,1H3;2-8,20,22H,9H2,1H3.

What are the key properties of 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one?

8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 616.08 g/mol, XLogP of 5.89, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 158365601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).