1-phenylpyrazolo[3,4-b]quinoline

C48H33N9 — CID 139062334

IUPAC1-phenylpyrazolo[3,4-b]quinoline
SMILESc1ccc(-n2ncc3cc4ccccc4nc32)cc1.c1ccc(-n2ncc3cc4ccccc4nc32)cc1.c1ccc(-n2ncc3cc4ccccc4nc32)cc1
InChIInChI=1S/3C16H11N3/c3*1-2-7-14(8-3-1)19-16-13(11-17-19)10-12-6-4-5-9-15(12)18-16/h3*1-11H
InChIKeyRFVHVUVKGSZDHD-UHFFFAOYSA-N
MW735.86 g/mol
LogP10.72
Rot. Bonds3

About 1-phenylpyrazolo[3,4-b]quinoline

1-phenylpyrazolo[3,4-b]quinoline (PubChem CID 139062334) has the molecular formula C48H33N9 and a molecular weight of 735.86 g/mol. Its IUPAC name is 1-phenylpyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name1-phenylpyrazolo[3,4-b]quinoline
PubChem CID139062334
Molecular FormulaC48H33N9
Molecular Weight735.86 g/mol
Exact Mass735.29
IUPAC Name1-phenylpyrazolo[3,4-b]quinoline
SMILESc1ccc(-n2ncc3cc4ccccc4nc32)cc1.c1ccc(-n2ncc3cc4ccccc4nc32)cc1.c1ccc(-n2ncc3cc4ccccc4nc32)cc1
InChIInChI=1S/3C16H11N3/c3*1-2-7-14(8-3-1)19-16-13(11-17-19)10-12-6-4-5-9-15(12)18-16/h3*1-11H
InChIKeyRFVHVUVKGSZDHD-UHFFFAOYSA-N
XLogP10.72
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.86
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
PF-04254644
CID 24871823
Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
Pyrazolo pyrimidine, 5k
CID 25196900
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrazolo[3,4-b]quinoline?
The IUPAC name of 1-phenylpyrazolo[3,4-b]quinoline (CID 139062334) is 1-phenylpyrazolo[3,4-b]quinoline.
What is the SMILES notation for 1-phenylpyrazolo[3,4-b]quinoline?
The canonical SMILES for 1-phenylpyrazolo[3,4-b]quinoline is c1ccc(-n2ncc3cc4ccccc4nc32)cc1.c1ccc(-n2ncc3cc4ccccc4nc32)cc1.c1ccc(-n2ncc3cc4ccccc4nc32)cc1.
What is the InChIKey of 1-phenylpyrazolo[3,4-b]quinoline?
The InChIKey is RFVHVUVKGSZDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H11N3/c3*1-2-7-14(8-3-1)19-16-13(11-17-19)10-12-6-4-5-9-15(12)18-16/h3*1-11H.
What are the key properties of 1-phenylpyrazolo[3,4-b]quinoline?
1-phenylpyrazolo[3,4-b]quinoline has a molecular weight of 735.86 g/mol, XLogP of 10.72, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrazolo[3,4-b]quinoline is sourced from PubChem (CID 139062334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).