8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one

C11H8ClN3O — CID 135742188

IUPAC8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C11H8ClN3O/c1-5-9-10(15-14-5)7-4-6(12)2-3-8(7)13-11(9)16/h2-4H,1H3,(H,13,16)(H,14,15)
InChIKeyAYVAHPLCRORVEN-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.37
Rot. Bonds

About 8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one

8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one (PubChem CID 135742188) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one
PubChem CID135742188
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one
SMILESCc1[nH]nc2c1c(=O)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C11H8ClN3O/c1-5-9-10(15-14-5)7-4-6(12)2-3-8(7)13-11(9)16/h2-4H,1H3,(H,13,16)(H,14,15)
InChIKeyAYVAHPLCRORVEN-UHFFFAOYSA-N
XLogP2.37
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-3-methyl-1,5-dihydro-4H-pyrazolo[4,3-C]quinolin-4-one
CID 708346
4H-Pyrazolo[4,3-c]quinolin-4-one, 5-(3-aminopropyl)-8-chloro-2,5-dihydro-3-methyl-
CID 11185396
5-(4-aminobutyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443797
6-Chloro-3-(5-methyl-2H-pyrazol-3-yl)-4-phenyl-1H-quinolin-2-one
CID 135489124
5-(2-aminoethyl)-8-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 44443794
3,8-dimethyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 136104485
3-[(E)-2-phenylethenyl]-2,5-dihydropyrazolo[4,3-c]quinolin-4-one
CID 156009962
7-chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 136104482
3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one
CID 136104483
3,5-dimethyl-2H-pyrazolo[4,3-c]quinolin-4-one
CID 2785814
1-(4-Chlorophenyl)-3,5-dimethylpyrazolo[4,5-c]quinolin-4-one
CID 13553480
1-(3-chlorophenyl)-3-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136035299

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one (CID 135742188) is 8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one is Cc1[nH]nc2c1c(=O)[nH]c1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one?
The InChIKey is AYVAHPLCRORVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c1-5-9-10(15-14-5)7-4-6(12)2-3-8(7)13-11(9)16/h2-4H,1H3,(H,13,16)(H,14,15).
What are the key properties of 8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one?
8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one has a molecular weight of 233.66 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-2,5-dihydropyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135742188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).