N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide

C87H86FN17O11 — CID 157069444

IUPACN-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCn2c(=O)c3c(C)[nH]nc3c3ccccc32)cc1.COc1cccc(C(=O)NCCCn2c(=O)c3c(C)[nH]nc3c3ccccc32)c1.COc1ccccc1C(=O)NCCCn1c(=O)c2c(C)[nH]nc2c2ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1F)c1ccc(N)cc21
InChIInChI=1S/3C22H22N4O3.C21H20FN5O2/c1-14-19-20(25-24-14)15-8-3-5-10-17(15)26(22(19)28)13-7-12-23-21(27)16-9-4-6-11-18(16)29-2;1-14-19-20(25-24-14)17-9-3-4-10-18(17)26(22(19)28)12-6-11-23-21(27)15-7-5-8-16(13-15)29-2;1-14-19-20(25-24-14)17-6-3-4-7-18(17)26(22(19)28)13-5-12-23-21(27)15-8-10-16(29-2)11-9-15;1-12-18-19(26-25-12)15-11-13(23)7-8-17(15)27(21(18)29)10-4-9-24-20(28)14-5-2-3-6-16(14)22/h3-6,8-11H,7,12-13H2,1-2H3,(H,23,27)(H,24,25);3-5,7-10,13H,6,11-12H2,1-2H3,(H,23,27)(H,24,25);3-4,6-11H,5,12-13H2,1-2H3,(H,23,27)(H,24,25);2-3,5-8,11H,4,9-10,23H2,1H3,(H,24,28)(H,25,26)
InChIKeyACGGAMWXNGHBND-UHFFFAOYSA-N
MW1564.75 g/mol
LogP11.77
Rot. Bonds23

About N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide

N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide (PubChem CID 157069444) has the molecular formula C87H86FN17O11 and a molecular weight of 1564.75 g/mol. Its IUPAC name is N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
PubChem CID157069444
Molecular FormulaC87H86FN17O11
Molecular Weight1564.75 g/mol
Exact Mass1563.67
IUPAC NameN-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
SMILESCOc1ccc(C(=O)NCCCn2c(=O)c3c(C)[nH]nc3c3ccccc32)cc1.COc1cccc(C(=O)NCCCn2c(=O)c3c(C)[nH]nc3c3ccccc32)c1.COc1ccccc1C(=O)NCCCn1c(=O)c2c(C)[nH]nc2c2ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1F)c1ccc(N)cc21
InChIInChI=1S/3C22H22N4O3.C21H20FN5O2/c1-14-19-20(25-24-14)15-8-3-5-10-17(15)26(22(19)28)13-7-12-23-21(27)16-9-4-6-11-18(16)29-2;1-14-19-20(25-24-14)17-9-3-4-10-18(17)26(22(19)28)12-6-11-23-21(27)15-7-5-8-16(13-15)29-2;1-14-19-20(25-24-14)17-6-3-4-7-18(17)26(22(19)28)13-5-12-23-21(27)15-8-10-16(29-2)11-9-15;1-12-18-19(26-25-12)15-11-13(23)7-8-17(15)27(21(18)29)10-4-9-24-20(28)14-5-2-3-6-16(14)22/h3-6,8-11H,7,12-13H2,1-2H3,(H,23,27)(H,24,25);3-5,7-10,13H,6,11-12H2,1-2H3,(H,23,27)(H,24,25);3-4,6-11H,5,12-13H2,1-2H3,(H,23,27)(H,24,25);2-3,5-8,11H,4,9-10,23H2,1H3,(H,24,28)(H,25,26)
InChIKeyACGGAMWXNGHBND-UHFFFAOYSA-N
XLogP11.77
TPSA372.83 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001564.75
LogP ≤ 511.77
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide with MolForge

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Related Compounds

5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;tert-butyl N-[2-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]carbamate;1-[2-(7-chloro-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)ethyl]-3-cyclohexylurea;3,4-dimethoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide
CID 160674076
3-methoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419698
3-methoxy-N-[2-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978161
3-methoxy-N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16983734
4-fluoro-N-[2-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977358
3-methoxy-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990820
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
[(Z)-3-amino-2-[5-(3-aminopropyl)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-8-yl]prop-2-enylidene]azanium
CID 143019898
3-methoxy-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983688
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
4-methoxy-N-[5-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991331
N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methoxybenzamide
CID 59747981

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?
The IUPAC name of N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide (CID 157069444) is N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide.
What is the SMILES notation for N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?
The canonical SMILES for N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide is COc1ccc(C(=O)NCCCn2c(=O)c3c(C)[nH]nc3c3ccccc32)cc1.COc1cccc(C(=O)NCCCn2c(=O)c3c(C)[nH]nc3c3ccccc32)c1.COc1ccccc1C(=O)NCCCn1c(=O)c2c(C)[nH]nc2c2ccccc21.Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccccc1F)c1ccc(N)cc21.
What is the InChIKey of N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?
The InChIKey is ACGGAMWXNGHBND-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H22N4O3.C21H20FN5O2/c1-14-19-20(25-24-14)15-8-3-5-10-17(15)26(22(19)28)13-7-12-23-21(27)16-9-4-6-11-18(16)29-2;1-14-19-20(25-24-14)17-9-3-4-10-18(17)26(22(19)28)12-6-11-23-21(27)15-7-5-8-16(13-15)29-2;1-14-19-20(25-24-14)17-6-3-4-7-18(17)26(22(19)28)13-5-12-23-21(27)15-8-10-16(29-2)11-9-15;1-12-18-19(26-25-12)15-11-13(23)7-8-17(15)27(21(18)29)10-4-9-24-20(28)14-5-2-3-6-16(14)22/h3-6,8-11H,7,12-13H2,1-2H3,(H,23,27)(H,24,25);3-5,7-10,13H,6,11-12H2,1-2H3,(H,23,27)(H,24,25);3-4,6-11H,5,12-13H2,1-2H3,(H,23,27)(H,24,25);2-3,5-8,11H,4,9-10,23H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide?
N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide has a molecular weight of 1564.75 g/mol, XLogP of 11.77, 23 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-amino-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-2-fluorobenzamide;2-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;3-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide;4-methoxy-N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]benzamide is sourced from PubChem (CID 157069444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).