3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one

C16H12N4O — CID 131848680

IUPAC3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESNc1n[nH]c2c1c(=O)n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C16H12N4O/c17-15-13-14(18-19-15)11-8-4-5-9-12(11)20(16(13)21)10-6-2-1-3-7-10/h1-9H,(H3,17,18,19)
InChIKeyRSOBWJVOQGRSPO-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.45
Rot. Bonds1

About 3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one

3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 131848680) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID131848680
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one
SMILESNc1n[nH]c2c1c(=O)n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C16H12N4O/c17-15-13-14(18-19-15)11-8-4-5-9-12(11)20(16(13)21)10-6-2-1-3-7-10/h1-9H,(H3,17,18,19)
InChIKeyRSOBWJVOQGRSPO-UHFFFAOYSA-N
XLogP2.45
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 19045865
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CID 90407721
3,4-diamino-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 13329158
5-amino-1-phenylquinolin-2-one
CID 90152622
2-anilino-3-methyl-5-phenylpyrazolo[4,3-c]quinolin-4-one
CID 2785493
5-amino-11-[1-[(2S)-6-amino-2,3-dihydro-1,4-benzodioxin-2-yl]ethylamino]-8-phenyl-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 90409215
4-(2-bromoethylamino)-2-oxo-1-phenylquinoline-3-carboxylic acid
CID 140992885
1-amino-5-ethyl-3H-pyridazino[4,5-b]indol-4-one
CID 86575799
5-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinoline-3,4-dione
CID 10851116
4,5-diamino-2H-pyridazino[4,5-c]quinolin-1-one
CID 10105141
4-hydroxy-3-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)sulfanyl-1-phenylquinolin-2-one
CID 102581403
3-ethyl-4-(methylamino)-1-phenylquinolin-2-one
CID 123908561

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one (CID 131848680) is 3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one is Nc1n[nH]c2c1c(=O)n(-c1ccccc1)c1ccccc21.
What is the InChIKey of 3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is RSOBWJVOQGRSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-15-13-14(18-19-15)11-8-4-5-9-12(11)20(16(13)21)10-6-2-1-3-7-10/h1-9H,(H3,17,18,19).
What are the key properties of 3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one?
3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 276.30 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-phenyl-1H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 131848680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).