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

C54H45N9O4 — CID 159376541

IUPAC7-(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
SMILESCc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3C)[nH]c12.Cc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.Cc1ccccc1-n1[nH]c2c(cnc3cc(CO)ccc32)c1=O
InChIInChI=1S/C18H15N3O2.2C18H15N3O/c1-11-4-2-3-5-16(11)21-18(23)14-9-19-15-8-12(10-22)6-7-13(15)17(14)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;1-11-7-8-13-15(9-11)19-10-14-17(13)20-21(18(14)22)16-6-4-3-5-12(16)2/h2-9,20,22H,10H2,1H3;2*3-10,20H,1-2H3
InChIKeyIGVMHAYDITYWEH-UHFFFAOYSA-N
MW884.01 g/mol
LogP9.64
Rot. Bonds4

About 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

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 (PubChem CID 159376541) has the molecular formula C54H45N9O4 and a molecular weight of 884.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID159376541
Molecular FormulaC54H45N9O4
Molecular Weight884.01 g/mol
Exact Mass883.36
IUPAC Name7-(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
SMILESCc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3C)[nH]c12.Cc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.Cc1ccccc1-n1[nH]c2c(cnc3cc(CO)ccc32)c1=O
InChIInChI=1S/C18H15N3O2.2C18H15N3O/c1-11-4-2-3-5-16(11)21-18(23)14-9-19-15-8-12(10-22)6-7-13(15)17(14)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;1-11-7-8-13-15(9-11)19-10-14-17(13)20-21(18(14)22)16-6-4-3-5-12(16)2/h2-9,20,22H,10H2,1H3;2*3-10,20H,1-2H3
InChIKeyIGVMHAYDITYWEH-UHFFFAOYSA-N
XLogP9.64
TPSA172.27 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.01
LogP ≤ 59.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157952930
7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-3-hydroxy-2-(2-phenylphenyl)-3H-isoindol-1-one
CID 134234930
7-[2,7-bis(3-methyl-4-pyridinyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)-3-hydroxy-3H-isoindol-1-one
CID 134241022
7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508198
7-(hydroxymethyl)-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508204
7-(hydroxymethyl)-6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508206
7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508207
7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508223
7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508225
7-(hydroxymethyl)-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508249
7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
CID 134508252
7-(hydroxymethyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508267

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)ncc1c(=O)n(-c3ccccc3C)[nH]c12.Cc1cccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)c1.Cc1ccccc1-n1[nH]c2c(cnc3cc(CO)ccc32)c1=O.
What is the InChIKey of 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?
The InChIKey is IGVMHAYDITYWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.2C18H15N3O/c1-11-4-2-3-5-16(11)21-18(23)14-9-19-15-8-12(10-22)6-7-13(15)17(14)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;1-11-7-8-13-15(9-11)19-10-14-17(13)20-21(18(14)22)16-6-4-3-5-12(16)2/h2-9,20,22H,10H2,1H3;2*3-10,20H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 884.01 g/mol, XLogP of 9.64, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159376541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).