7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione

C10H5Cl2N3O2 — CID 21474013

IUPAC7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione
SMILESO=c1[nH][nH]c2c1c(=O)[nH]c1cc(Cl)c(Cl)cc12
InChIInChI=1S/C10H5Cl2N3O2/c11-4-1-3-6(2-5(4)12)13-9(16)7-8(3)14-15-10(7)17/h1-2H,(H,13,16)(H2,14,15,17)
InChIKeySESWSHZLOYMWLY-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.00
Rot. Bonds

About 7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione

7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione (PubChem CID 21474013) has the molecular formula C10H5Cl2N3O2 and a molecular weight of 270.08 g/mol. Its IUPAC name is 7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione.

Molecular Properties

Compound Name7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione
PubChem CID21474013
Molecular FormulaC10H5Cl2N3O2
Molecular Weight270.08 g/mol
Exact Mass268.98
IUPAC Name7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione
SMILESO=c1[nH][nH]c2c1c(=O)[nH]c1cc(Cl)c(Cl)cc12
InChIInChI=1S/C10H5Cl2N3O2/c11-4-1-3-6(2-5(4)12)13-9(16)7-8(3)14-15-10(7)17/h1-2H,(H,13,16)(H2,14,15,17)
InChIKeySESWSHZLOYMWLY-UHFFFAOYSA-N
XLogP2.00
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
The IUPAC name of 7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione (CID 21474013) is 7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione.
What is the SMILES notation for 7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
The canonical SMILES for 7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione is O=c1[nH][nH]c2c1c(=O)[nH]c1cc(Cl)c(Cl)cc12.
What is the InChIKey of 7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
The InChIKey is SESWSHZLOYMWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N3O2/c11-4-1-3-6(2-5(4)12)13-9(16)7-8(3)14-15-10(7)17/h1-2H,(H,13,16)(H2,14,15,17).
What are the key properties of 7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione?
7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione has a molecular weight of 270.08 g/mol, XLogP of 2.00, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2,5-dihydro-1H-pyrazolo[4,3-c]quinoline-3,4-dione is sourced from PubChem (CID 21474013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).