N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide

C19H18N4O3S — CID 71539704

IUPACN-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3ccccc3NS(C)(=O)=O)cc21
InChIInChI=1S/C19H18N4O3S/c1-3-23-17-10-12(13-6-4-5-7-16(13)22-27(2,25)26)8-9-14(17)18-15(19(23)24)11-20-21-18/h4-11,22H,3H2,1-2H3,(H,20,21)
InChIKeyMDEQBBOPZINYMI-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide

N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide (PubChem CID 71539704) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
PubChem CID71539704
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide
SMILESCCn1c(=O)c2cn[nH]c2c2ccc(-c3ccccc3NS(C)(=O)=O)cc21
InChIInChI=1S/C19H18N4O3S/c1-3-23-17-10-12(13-6-4-5-7-16(13)22-27(2,25)26)8-9-14(17)18-15(19(23)24)11-20-21-18/h4-11,22H,3H2,1-2H3,(H,20,21)
InChIKeyMDEQBBOPZINYMI-UHFFFAOYSA-N
XLogP2.94
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide 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-(2-Amino-ethanesulfonyl)-5-ethyl-3-methyl-2,5,7,8,9,10-hexahydro-1,2,5,8-tetraaza-cyclopenta[a]anthracen-4-one
CID 44443786
1-ethyl-2,2-dimethyl-7-(5-methyl-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 127048047
4-(5-methyl-4,4-dioxo-1H-pyrazolo[4,5-c][2,1]benzothiazin-8-yl)benzamide
CID 71567007
N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide
CID 122180353
N-[[1-(1H-indazole-7-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 45817601
7-fluoro-5-[4-(3-methylphenyl)-3-oxobutyl]-1H-pyrazolo[4,5-c]quinolin-4-one
CID 163677452
1,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one
CID 135454324
2-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 32201146
5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
CID 126799516
2,4-difluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
CID 60047290
N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-(trifluoromethyl)benzamide
CID 60047296
4-fluoro-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
CID 60047399

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide (CID 71539704) is N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide is CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccccc3NS(C)(=O)=O)cc21.
What is the InChIKey of N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide?
The InChIKey is MDEQBBOPZINYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-3-23-17-10-12(13-6-4-5-7-16(13)22-27(2,25)26)8-9-14(17)18-15(19(23)24)11-20-21-18/h4-11,22H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide?
N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide has a molecular weight of 382.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-oxo-1H-pyrazolo[4,5-c]quinolin-7-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 71539704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).