N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide

C34H28F2N4O4 — CID 162504782

IUPACN-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide
SMILESCn1ncc2c(=O)n(CCC(=O)Nc3ccc(F)cc3F)c3cc(OCc4ccccc4)c(OCc4ccccc4)cc3c21
InChIInChI=1S/C34H28F2N4O4/c1-39-33-25-17-30(43-20-22-8-4-2-5-9-22)31(44-21-23-10-6-3-7-11-23)18-29(25)40(34(42)26(33)19-37-39)15-14-32(41)38-28-13-12-24(35)16-27(28)36/h2-13,16-19H,14-15,20-21H2,1H3,(H,38,41)
InChIKeyUCBPSCWSILDBEX-UHFFFAOYSA-N
MW594.62 g/mol
LogP6.35
Rot. Bonds10

About N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide

N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide (PubChem CID 162504782) has the molecular formula C34H28F2N4O4 and a molecular weight of 594.62 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide
PubChem CID162504782
Molecular FormulaC34H28F2N4O4
Molecular Weight594.62 g/mol
Exact Mass594.21
IUPAC NameN-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide
SMILESCn1ncc2c(=O)n(CCC(=O)Nc3ccc(F)cc3F)c3cc(OCc4ccccc4)c(OCc4ccccc4)cc3c21
InChIInChI=1S/C34H28F2N4O4/c1-39-33-25-17-30(43-20-22-8-4-2-5-9-22)31(44-21-23-10-6-3-7-11-23)18-29(25)40(34(42)26(33)19-37-39)15-14-32(41)38-28-13-12-24(35)16-27(28)36/h2-13,16-19H,14-15,20-21H2,1H3,(H,38,41)
InChIKeyUCBPSCWSILDBEX-UHFFFAOYSA-N
XLogP6.35
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.62
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2,4-difluorophenyl)-3-oxobutyl]-1-methyl-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-4-one
CID 163431644
7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
CID 163571056
methyl 3-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 18776453
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
N-(2,5-difluorophenyl)-3-[1-(4-fluorophenyl)-6-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16882629
N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 37220850
N-(2,4-difluorophenyl)-2-[(5E)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126276658
3-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-propan-2-ylpropanamide
CID 50836838
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884434
N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-methyl-4-oxo-1-pyridinyl]acetamide
CID 16852826

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide (CID 162504782) is N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide is Cn1ncc2c(=O)n(CCC(=O)Nc3ccc(F)cc3F)c3cc(OCc4ccccc4)c(OCc4ccccc4)cc3c21.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide?
The InChIKey is UCBPSCWSILDBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F2N4O4/c1-39-33-25-17-30(43-20-22-8-4-2-5-9-22)31(44-21-23-10-6-3-7-11-23)18-29(25)40(34(42)26(33)19-37-39)15-14-32(41)38-28-13-12-24(35)16-27(28)36/h2-13,16-19H,14-15,20-21H2,1H3,(H,38,41).
What are the key properties of N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide?
N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide has a molecular weight of 594.62 g/mol, XLogP of 6.35, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide is sourced from PubChem (CID 162504782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).