N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide

C21H14N4O2 — CID 44562752

IUPACN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccoc1
InChIInChI=1S/C21H14N4O2/c26-21(14-10-11-27-13-14)23-20-19-17(16-8-4-5-9-18(16)22-20)12-25(24-19)15-6-2-1-3-7-15/h1-13H,(H,22,23,26)
InChIKeyFHZBUNWPMXSOKQ-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.42
Rot. Bonds3

About N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide

N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide (PubChem CID 44562752) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide
PubChem CID44562752
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide
SMILESO=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccoc1
InChIInChI=1S/C21H14N4O2/c26-21(14-10-11-27-13-14)23-20-19-17(16-8-4-5-9-18(16)22-20)12-25(24-19)15-6-2-1-3-7-15/h1-13H,(H,22,23,26)
InChIKeyFHZBUNWPMXSOKQ-UHFFFAOYSA-N
XLogP4.42
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide?
The IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide (CID 44562752) is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide.
What is the SMILES notation for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide?
The canonical SMILES for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide is O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccoc1.
What is the InChIKey of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide?
The InChIKey is FHZBUNWPMXSOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-21(14-10-11-27-13-14)23-20-19-17(16-8-4-5-9-18(16)22-20)12-25(24-19)15-6-2-1-3-7-15/h1-13H,(H,22,23,26).
What are the key properties of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide?
N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide is sourced from PubChem (CID 44562752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).