8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol

C88H73ClN16O5 — CID 157387033

IUPAC8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(N2Cc3cnc4cc(CO)ccc4c3N2)cc1.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(C)nc3)[nH]c12.Cc1cccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)c1
InChIInChI=1S/2C18H15N3O.C18H17N3O.C17H12ClN3O.C17H14N4O/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;1-12-2-5-15(6-3-12)21-10-14-9-19-17-8-13(11-22)4-7-16(17)18(14)20-21;1-10-3-2-4-12(7-10)21-17(22)14-9-19-15-6-5-11(18)8-13(15)16(14)20-21;1-10-3-6-13-15(7-10)19-9-14-16(13)20-21(17(14)22)12-5-4-11(2)18-8-12/h2*3-10,20H,1-2H3;2-9,20,22H,10-11H2,1H3;2-9,20H,1H3;3-9,20H,1-2H3
InChIKeyYCAVJUBTLPQOTG-UHFFFAOYSA-N
MW1470.11 g/mol
LogP17.06
Rot. Bonds6

About 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol

8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol (PubChem CID 157387033) has the molecular formula C88H73ClN16O5 and a molecular weight of 1470.11 g/mol. Its IUPAC name is 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol.

Molecular Properties

Compound Name8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol
PubChem CID157387033
Molecular FormulaC88H73ClN16O5
Molecular Weight1470.11 g/mol
Exact Mass1468.56
IUPAC Name8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol
SMILESCc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(N2Cc3cnc4cc(CO)ccc4c3N2)cc1.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(C)nc3)[nH]c12.Cc1cccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)c1
InChIInChI=1S/2C18H15N3O.C18H17N3O.C17H12ClN3O.C17H14N4O/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;1-12-2-5-15(6-3-12)21-10-14-9-19-17-8-13(11-22)4-7-16(17)18(14)20-21;1-10-3-2-4-12(7-10)21-17(22)14-9-19-15-6-5-11(18)8-13(15)16(14)20-21;1-10-3-6-13-15(7-10)19-9-14-16(13)20-21(17(14)22)12-5-4-11(2)18-8-12/h2*3-10,20H,1-2H3;2-9,20,22H,10-11H2,1H3;2-9,20H,1H3;3-9,20H,1-2H3
InChIKeyYCAVJUBTLPQOTG-UHFFFAOYSA-N
XLogP17.06
TPSA264.00 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001470.11
LogP ≤ 517.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol with MolForge

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Related Compounds

7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157193192
7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157327962
8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157648369
7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157701373
7-bromo-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-pyridin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-pyrazin-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157821883
8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158365601
8-(hydroxymethyl)-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158660043
8-chloro-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158850533
7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159206361
7-(hydroxymethyl)-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159376541
8-chloro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159465236
7-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 159661956

Frequently Asked Questions

What is the IUPAC name of 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol?
The IUPAC name of 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol (CID 157387033) is 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol.
What is the SMILES notation for 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol?
The canonical SMILES for 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol is Cc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.Cc1ccc(N2Cc3cnc4cc(CO)ccc4c3N2)cc1.Cc1ccc2c(c1)ncc1c(=O)n(-c3ccc(C)nc3)[nH]c12.Cc1cccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)c1.
What is the InChIKey of 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol?
The InChIKey is YCAVJUBTLPQOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15N3O.C18H17N3O.C17H12ClN3O.C17H14N4O/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;1-12-2-5-15(6-3-12)21-10-14-9-19-17-8-13(11-22)4-7-16(17)18(14)20-21;1-10-3-2-4-12(7-10)21-17(22)14-9-19-15-6-5-11(18)8-13(15)16(14)20-21;1-10-3-6-13-15(7-10)19-9-14-16(13)20-21(17(14)22)12-5-4-11(2)18-8-12/h2*3-10,20H,1-2H3;2-9,20,22H,10-11H2,1H3;2-9,20H,1H3;3-9,20H,1-2H3.
What are the key properties of 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol?
8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol has a molecular weight of 1470.11 g/mol, XLogP of 17.06, 6 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-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-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol is sourced from PubChem (CID 157387033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).