7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

C42H40FN9O3 — CID 123942742

IUPAC7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1cc2c(cc1N1CCCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.O=c1c2cnc3c(F)c(N4CCOCC4)ccc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C22H23N5O.C20H17FN4O2/c1-15-12-17-19(13-20(15)26-10-5-8-23-9-11-26)24-14-18-21(17)25-27(22(18)28)16-6-3-2-4-7-16;21-17-16(24-8-10-27-11-9-24)7-6-14-18-15(12-22-19(14)17)20(26)25(23-18)13-4-2-1-3-5-13/h2-4,6-7,12-14,23,25H,5,8-11H2,1H3;1-7,12,23H,8-11H2
InChIKeyXJAAXPPTFBLWKT-UHFFFAOYSA-N
MW737.84 g/mol
LogP5.82
Rot. Bonds4

About 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one

7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 123942742) has the molecular formula C42H40FN9O3 and a molecular weight of 737.84 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID123942742
Molecular FormulaC42H40FN9O3
Molecular Weight737.84 g/mol
Exact Mass737.32
IUPAC Name7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1cc2c(cc1N1CCCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.O=c1c2cnc3c(F)c(N4CCOCC4)ccc3c2[nH]n1-c1ccccc1
InChIInChI=1S/C22H23N5O.C20H17FN4O2/c1-15-12-17-19(13-20(15)26-10-5-8-23-9-11-26)24-14-18-21(17)25-27(22(18)28)16-6-3-2-4-7-16;21-17-16(24-8-10-27-11-9-24)7-6-14-18-15(12-22-19(14)17)20(26)25(23-18)13-4-2-1-3-5-13/h2-4,6-7,12-14,23,25H,5,8-11H2,1H3;1-7,12,23H,8-11H2
InChIKeyXJAAXPPTFBLWKT-UHFFFAOYSA-N
XLogP5.82
TPSA129.10 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.84
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one with MolForge

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Related Compounds

11-methyl-N-(3-morpholin-4-ylpropyl)pyrido[3,2-a]carbazole-5-carboxamide
CID 72205654
11-methyl-N-(2-morpholin-4-ylethyl)pyrido[3,2-a]carbazole-5-carboxamide
CID 72205471
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-Fluorophenyl)-3-oxo-N-propyl-2H,3H,5H-pyrazolo[4,3-C]quinoline-8-carboxamide
CID 53132392
N-(3,5-Dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-2H,3H,5H-pyrazolo[4,3-C]quinoline-8-carboxamide
CID 53011976
7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 25123634
2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 25124612
8-Fluoro-2-phenyl-7-piperazin-1-yl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 25124956
8-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 25124957
8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 25124958
7-(3,5-Dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 25125300

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 123942742) is 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1cc2c(cc1N1CCCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.O=c1c2cnc3c(F)c(N4CCOCC4)ccc3c2[nH]n1-c1ccccc1.
What is the InChIKey of 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is XJAAXPPTFBLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.C20H17FN4O2/c1-15-12-17-19(13-20(15)26-10-5-8-23-9-11-26)24-14-18-21(17)25-27(22(18)28)16-6-3-2-4-7-16;21-17-16(24-8-10-27-11-9-24)7-6-14-18-15(12-22-19(14)17)20(26)25(23-18)13-4-2-1-3-5-13/h2-4,6-7,12-14,23,25H,5,8-11H2,1H3;1-7,12,23H,8-11H2.
What are the key properties of 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 737.84 g/mol, XLogP of 5.82, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-diazepan-1-yl)-8-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;6-fluoro-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 123942742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).