7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one)

C54H45N9O3 — CID 158802611

IUPAC7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one)
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1
InChIInChI=1S/3C18H15N3O/c2*1-11-3-6-13(7-4-11)21-18(22)15-10-19-16-9-12(2)5-8-14(16)17(15)20-21;1-11-4-3-5-13(8-11)21-18(22)15-10-19-16-9-12(2)6-7-14(16)17(15)20-21/h3*3-10,20H,1-2H3
InChIKeyQYSDZCXKAQKMHY-UHFFFAOYSA-N
MW868.01 g/mol
LogP10.45
Rot. Bonds3

About 7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one)

7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one) (PubChem CID 158802611) has the molecular formula C54H45N9O3 and a molecular weight of 868.01 g/mol. Its IUPAC name is 7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one).

Molecular Properties

Compound Name7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one)
PubChem CID158802611
Molecular FormulaC54H45N9O3
Molecular Weight868.01 g/mol
Exact Mass867.36
IUPAC Name7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one)
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1
InChIInChI=1S/3C18H15N3O/c2*1-11-3-6-13(7-4-11)21-18(22)15-10-19-16-9-12(2)5-8-14(16)17(15)20-21;1-11-4-3-5-13(8-11)21-18(22)15-10-19-16-9-12(2)6-7-14(16)17(15)20-21/h3*3-10,20H,1-2H3
InChIKeyQYSDZCXKAQKMHY-UHFFFAOYSA-N
XLogP10.45
TPSA152.04 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.01
LogP ≤ 510.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

(3H)Cgs8216
CID 104916
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
2-[(4-pyrazol-1-ylphenyl)methyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 68154522
2-(4-Fluorophenyl)-8-(piperidine-1-carbonyl)-2H,3H,5H-pyrazolo[4,3-C]quinolin-3-one
CID 46393552
N-[(2-fluorophenyl)methyl]-2-(4-methylphenyl)-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 49660825
2-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 118724610
8-(2-Ethylpiperidine-1-carbonyl)-2-phenyl-2H,3H,5H-pyrazolo[4,3-C]quinolin-3-one
CID 53132467
3-Methyl-1-oxo-2,3-dihydro-1H-pyrazolo[4,3-c][1,10]phenanthroline
CID 619501
2-phenyl-3H-pyrazolo[4,3-c][1,7]phenanthrolin-1-one
CID 318007
N-cyclohexyl-2-(4-methylphenyl)-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 49660804
N-isopropyl-3-oxo-2-(p-tolyl)-3,5-dihydro-2H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 49660819
N-cyclopentyl-2-(4-methylphenyl)-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 49660823

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one)?
The IUPAC name of 7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one) (CID 158802611) is 7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one).
What is the SMILES notation for 7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one)?
The canonical SMILES for 7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one) is Cc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.
What is the InChIKey of 7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one)?
The InChIKey is QYSDZCXKAQKMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15N3O/c2*1-11-3-6-13(7-4-11)21-18(22)15-10-19-16-9-12(2)5-8-14(16)17(15)20-21;1-11-4-3-5-13(8-11)21-18(22)15-10-19-16-9-12(2)6-7-14(16)17(15)20-21/h3*3-10,20H,1-2H3.
What are the key properties of 7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one)?
7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one) has a molecular weight of 868.01 g/mol, XLogP of 10.45, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one) is sourced from PubChem (CID 158802611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).