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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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).