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

C35H27ClN6O5 — CID 159253095

IUPAC8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1
InChIInChI=1S/C18H15N3O3.C17H12ClN3O2/c1-24-13-5-3-12(4-6-13)21-18(23)15-9-19-16-8-11(10-22)2-7-14(16)17(15)20-21;1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,20,22H,10H2,1H3;2-9,20H,1H3
InChIKeySPAXKUWTONZHMI-UHFFFAOYSA-N
MW647.09 g/mol
LogP5.90
Rot. Bonds5

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

8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159253095) has the molecular formula C35H27ClN6O5 and a molecular weight of 647.09 g/mol. Its IUPAC name is 8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID159253095
Molecular FormulaC35H27ClN6O5
Molecular Weight647.09 g/mol
Exact Mass646.17
IUPAC Name8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1
InChIInChI=1S/C18H15N3O3.C17H12ClN3O2/c1-24-13-5-3-12(4-6-13)21-18(23)15-9-19-16-8-11(10-22)2-7-14(16)17(15)20-21;1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,20,22H,10H2,1H3;2-9,20H,1H3
InChIKeySPAXKUWTONZHMI-UHFFFAOYSA-N
XLogP5.90
TPSA140.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.09
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Chloro-2-(4-methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10471587
8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124111373
8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124111413
2-(4-chlorophenyl)-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10250487
8-chloro-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124111357
8-chloro-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124111381
8-chloro-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124111399
8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124111405
2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508189
7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 171342521
7-ethyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 171344228
8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 124111380

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 159253095) is 8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4cc(CO)ccc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1.
What is the InChIKey of 8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is SPAXKUWTONZHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3.C17H12ClN3O2/c1-24-13-5-3-12(4-6-13)21-18(23)15-9-19-16-8-11(10-22)2-7-14(16)17(15)20-21;1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,20,22H,10H2,1H3;2-9,20H,1H3.
What are the key properties of 8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 647.09 g/mol, XLogP of 5.90, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 159253095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).