8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine

C16H11ClN4 — CID 10565773

IUPAC8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2ccc(Cl)cc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C16H11ClN4/c17-10-6-7-14-12(8-10)13-9-21(11-4-2-1-3-5-11)20-15(13)16(18)19-14/h1-9H,(H2,18,19)
InChIKeyBOZNYPXCUUMRPN-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.81
Rot. Bonds1

About 8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine

8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine (PubChem CID 10565773) has the molecular formula C16H11ClN4 and a molecular weight of 294.75 g/mol. Its IUPAC name is 8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine
PubChem CID10565773
Molecular FormulaC16H11ClN4
Molecular Weight294.75 g/mol
Exact Mass294.07
IUPAC Name8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2ccc(Cl)cc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C16H11ClN4/c17-10-6-7-14-12(8-10)13-9-21(11-4-2-1-3-5-11)20-15(13)16(18)19-14/h1-9H,(H2,18,19)
InChIKeyBOZNYPXCUUMRPN-UHFFFAOYSA-N
XLogP3.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine (CID 10565773) is 8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine is Nc1nc2ccc(Cl)cc2c2cn(-c3ccccc3)nc12.
What is the InChIKey of 8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is BOZNYPXCUUMRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4/c17-10-6-7-14-12(8-10)13-9-21(11-4-2-1-3-5-11)20-15(13)16(18)19-14/h1-9H,(H2,18,19).
What are the key properties of 8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine?
8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 294.75 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-phenylpyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 10565773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).