2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide

C20H16F2N4O2 — CID 162504785

IUPAC2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide
SMILESCn1ncc2c(=O)n(CCNC(=O)c3ccccc3F)c3cc(F)ccc3c21
InChIInChI=1S/C20H16F2N4O2/c1-25-18-14-7-6-12(21)10-17(14)26(20(28)15(18)11-24-25)9-8-23-19(27)13-4-2-3-5-16(13)22/h2-7,10-11H,8-9H2,1H3,(H,23,27)
InChIKeyVZARBGLTWOVZFM-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.60
Rot. Bonds4

About 2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide

2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide (PubChem CID 162504785) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide
PubChem CID162504785
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide
SMILESCn1ncc2c(=O)n(CCNC(=O)c3ccccc3F)c3cc(F)ccc3c21
InChIInChI=1S/C20H16F2N4O2/c1-25-18-14-7-6-12(21)10-17(14)26(20(28)15(18)11-24-25)9-8-23-19(27)13-4-2-3-5-16(13)22/h2-7,10-11H,8-9H2,1H3,(H,23,27)
InChIKeyVZARBGLTWOVZFM-UHFFFAOYSA-N
XLogP2.60
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-5-[4-(2-fluorophenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
CID 163571056
7-fluoro-5-[4-(4-methoxy-3-pyridinyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one
CID 163686732
2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396250
N-(2,4-difluorophenyl)-3-[1-methyl-4-oxo-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-5-yl]propanamide
CID 162504782
5-[4-(2,4-difluorophenyl)-3-oxobutyl]-1-methyl-7,8-bis(phenylmethoxy)pyrazolo[4,5-c]quinolin-4-one
CID 163431644
2-fluoro-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121121043
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-2,4-difluorobenzamide
CID 71841245
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
5-[4-(2,4-difluorophenyl)-3-oxobutyl]-7-fluoro-1-methylpyrazolo[4,5-c]quinolin-4-one;7-fluoro-5-[4-(2-fluoro-4-trimethylstannylphenyl)-3-oxobutyl]-1-methylpyrazolo[4,5-c]quinolin-4-one;2-fluoro-4-iodoaniline;3-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)propanoic acid;2-fluoro-4-trimethylstannylaniline
CID 163776637
2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
2-fluoro-N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]benzamide
CID 121078450
2,4-difluoro-N-[2-[5-[(4-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]benzamide
CID 40908525

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide (CID 162504785) is 2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide is Cn1ncc2c(=O)n(CCNC(=O)c3ccccc3F)c3cc(F)ccc3c21.
What is the InChIKey of 2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide?
The InChIKey is VZARBGLTWOVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-25-18-14-7-6-12(21)10-17(14)26(20(28)15(18)11-24-25)9-8-23-19(27)13-4-2-3-5-16(13)22/h2-7,10-11H,8-9H2,1H3,(H,23,27).
What are the key properties of 2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide?
2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide has a molecular weight of 382.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(7-fluoro-1-methyl-4-oxopyrazolo[4,5-c]quinolin-5-yl)ethyl]benzamide is sourced from PubChem (CID 162504785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).