6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C18H15N3O3 — CID 46397836

IUPAC6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(OC)c2c1ncc1c(=O)n(-c3ccccc3)[nH]c12
InChIInChI=1S/C18H15N3O3/c1-23-13-8-9-14(24-2)17-15(13)16-12(10-19-17)18(22)21(20-16)11-6-4-3-5-7-11/h3-10,20H,1-2H3
InChIKeyJRRMHLQOXUBYDW-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.88
Rot. Bonds3

About 6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 46397836) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID46397836
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(OC)c2c1ncc1c(=O)n(-c3ccccc3)[nH]c12
InChIInChI=1S/C18H15N3O3/c1-23-13-8-9-14(24-2)17-15(13)16-12(10-19-17)18(22)21(20-16)11-6-4-3-5-7-11/h3-10,20H,1-2H3
InChIKeyJRRMHLQOXUBYDW-UHFFFAOYSA-N
XLogP2.88
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 54513102
5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione
CID 10851116
8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 25125978
7-benzyl-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
CID 131723052
10-(2-hydroxyethyl)-11-methyl-4-phenyl-3,4,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
CID 10040978
2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
CID 134508221
11-[2-(3,4-dimethoxyphenyl)ethylamino]-8-phenyl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 90408256
4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
CID 59448125
5-methoxy-1-phenyl-2H-benzo[g]indazol-3-one
CID 155753444
(7Z)-7-(dimethylaminomethylidene)-2-phenyl-8-(3,4,5-trimethoxyphenyl)-8,9-dihydro-3H-pyrazolo[3,4-c]isoquinoline-1,6-dione
CID 17147988
8-bromo-6-fluoro-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 140870911
2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 678872

Frequently Asked Questions

What is the IUPAC name of 6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 46397836) is 6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(OC)c2c1ncc1c(=O)n(-c3ccccc3)[nH]c12.
What is the InChIKey of 6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is JRRMHLQOXUBYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-13-8-9-14(24-2)17-15(13)16-12(10-19-17)18(22)21(20-16)11-6-4-3-5-7-11/h3-10,20H,1-2H3.
What are the key properties of 6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 321.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 46397836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).