ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C19H19N3O — CID 54513102

IUPACethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCC.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12
InChIInChI=1S/C17H13N3O.C2H6/c1-11-7-8-13-15(9-11)18-10-14-16(13)19-20(17(14)21)12-5-3-2-4-6-12;1-2/h2-10,19H,1H3;1-2H3
InChIKeyKOMSRSGLKUJAAU-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.20
Rot. Bonds1

About ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 54513102) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Nameethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID54513102
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Nameethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCC.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12
InChIInChI=1S/C17H13N3O.C2H6/c1-11-7-8-13-15(9-11)18-10-14-16(13)19-20(17(14)21)12-5-3-2-4-6-12;1-2/h2-10,19H,1H3;1-2H3
InChIKeyKOMSRSGLKUJAAU-UHFFFAOYSA-N
XLogP4.20
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 58189291
7-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 159661956
2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
CID 134508221
N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132480
6-methyl-1-phenyl-2H-indazol-3-one
CID 135011697
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
2-(1,3-benzothiazol-2-yl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 52916658
7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508199
N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132469
6,9-dimethoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 46397836
8-bromo-6-fluoro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508211
N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132434

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 54513102) is ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is CC.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3)[nH]c12.
What is the InChIKey of ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is KOMSRSGLKUJAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O.C2H6/c1-11-7-8-13-15(9-11)18-10-14-16(13)19-20(17(14)21)12-5-3-2-4-6-12;1-2/h2-10,19H,1H3;1-2H3.
What are the key properties of ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 305.38 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 54513102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).