4-chloro-1H-pyrazolo[3,4-b]quinoline

C10H6ClN3 — CID 22417971

IUPAC4-chloro-1H-pyrazolo[3,4-b]quinoline
SMILESClc1c2ccccc2nc2[nH]ncc12
InChIInChI=1S/C10H6ClN3/c11-9-6-3-1-2-4-8(6)13-10-7(9)5-12-14-10/h1-5H,(H,12,13,14)
InChIKeyVQUAVAWHNSNMOV-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.76
Rot. Bonds

About 4-chloro-1H-pyrazolo[3,4-b]quinoline

4-chloro-1H-pyrazolo[3,4-b]quinoline (PubChem CID 22417971) has the molecular formula C10H6ClN3 and a molecular weight of 203.63 g/mol. Its IUPAC name is 4-chloro-1H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-chloro-1H-pyrazolo[3,4-b]quinoline
PubChem CID22417971
Molecular FormulaC10H6ClN3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Name4-chloro-1H-pyrazolo[3,4-b]quinoline
SMILESClc1c2ccccc2nc2[nH]ncc12
InChIInChI=1S/C10H6ClN3/c11-9-6-3-1-2-4-8(6)13-10-7(9)5-12-14-10/h1-5H,(H,12,13,14)
InChIKeyVQUAVAWHNSNMOV-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 4-chloro-1H-pyrazolo[3,4-b]quinoline (CID 22417971) is 4-chloro-1H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-chloro-1H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-chloro-1H-pyrazolo[3,4-b]quinoline is Clc1c2ccccc2nc2[nH]ncc12.
What is the InChIKey of 4-chloro-1H-pyrazolo[3,4-b]quinoline?
The InChIKey is VQUAVAWHNSNMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3/c11-9-6-3-1-2-4-8(6)13-10-7(9)5-12-14-10/h1-5H,(H,12,13,14).
What are the key properties of 4-chloro-1H-pyrazolo[3,4-b]quinoline?
4-chloro-1H-pyrazolo[3,4-b]quinoline has a molecular weight of 203.63 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 22417971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).