7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one

C16H13N3OS — CID 10357153

IUPAC7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc2c(c1)ncc1c(=O)n(-c3csc(C)c3)[nH]c12
InChIInChI=1S/C16H13N3OS/c1-9-3-4-12-14(5-9)17-7-13-15(12)18-19(16(13)20)11-6-10(2)21-8-11/h3-8,18H,1-2H3
InChIKeyPFMQGERVBRBEJF-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.55
Rot. Bonds1

About 7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one

7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 10357153) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID10357153
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc2c(c1)ncc1c(=O)n(-c3csc(C)c3)[nH]c12
InChIInChI=1S/C16H13N3OS/c1-9-3-4-12-14(5-9)17-7-13-15(12)18-19(16(13)20)11-6-10(2)21-8-11/h3-8,18H,1-2H3
InChIKeyPFMQGERVBRBEJF-UHFFFAOYSA-N
XLogP3.55
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3H)Cgs8216
CID 104916
2-(5-Methylthien-3-yl)-2,5-dihydro-3H-pyrazolo(4,3-c)quinolin-3-one
CID 113637
2-(Thiophen-3-yl)-1,2-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
CID 13909320
2-(5-chlorothiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13909331
2-thiophen-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13909335
4-(4-Chlorophenyl)-12-thia-3,4,8-triazatricyclo[7.3.0.02,6]dodeca-1,6,8,10-tetraen-5-one
CID 14809208
4-(4-Chlorophenyl)-11-thia-3,4,8-triazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),7,9-tetraen-5-one
CID 14809210
3H-Pyrazolo[4,3-c]quinolin-3-one, 2,5-dihydro-2-(5-methyl-2-thienyl)-
CID 6917981
2-(4,5-dimethylthiophen-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13909281
7-methyl-2-(5-methylthiophen-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13909289
2-(4-methylthiophen-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13909291
6-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13909324

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 10357153) is 7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc2c(c1)ncc1c(=O)n(-c3csc(C)c3)[nH]c12.
What is the InChIKey of 7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is PFMQGERVBRBEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-9-3-4-12-14(5-9)17-7-13-15(12)18-19(16(13)20)11-6-10(2)21-8-11/h3-8,18H,1-2H3.
What are the key properties of 7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 295.37 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(5-methylthiophen-3-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 10357153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).