7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione

C10H6ClN3O2 — CID 21473932

IUPAC7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione
SMILESO=c1[nH][nH]c2c1c(=O)[nH]c1cc(Cl)ccc12
InChIInChI=1S/C10H6ClN3O2/c11-4-1-2-5-6(3-4)12-9(15)7-8(5)13-14-10(7)16/h1-3H,(H,12,15)(H2,13,14,16)
InChIKeyLTKDKKGZDXZLKC-UHFFFAOYSA-N
MW235.63 g/mol
LogP1.35
Rot. Bonds

About 7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione

7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione (PubChem CID 21473932) has the molecular formula C10H6ClN3O2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione.

Molecular Properties

Compound Name7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione
PubChem CID21473932
Molecular FormulaC10H6ClN3O2
Molecular Weight235.63 g/mol
Exact Mass235.01
IUPAC Name7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione
SMILESO=c1[nH][nH]c2c1c(=O)[nH]c1cc(Cl)ccc12
InChIInChI=1S/C10H6ClN3O2/c11-4-1-2-5-6(3-4)12-9(15)7-8(5)13-14-10(7)16/h1-3H,(H,12,15)(H2,13,14,16)
InChIKeyLTKDKKGZDXZLKC-UHFFFAOYSA-N
XLogP1.35
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
The IUPAC name of 7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione (CID 21473932) is 7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione.
What is the SMILES notation for 7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
The canonical SMILES for 7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione is O=c1[nH][nH]c2c1c(=O)[nH]c1cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
The InChIKey is LTKDKKGZDXZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2/c11-4-1-2-5-6(3-4)12-9(15)7-8(5)13-14-10(7)16/h1-3H,(H,12,15)(H2,13,14,16).
What are the key properties of 7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione has a molecular weight of 235.63 g/mol, XLogP of 1.35, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione is sourced from PubChem (CID 21473932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).