6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide

C21H24F2N4O — CID 170612399

IUPAC6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
SMILESCN1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(F)cc2)c2cc(F)ccc21
InChIInChI=1S/C21H24F2N4O/c1-25-10-2-3-18(25)14-24-21(28)27-12-11-26(17-7-4-15(22)5-8-17)20-13-16(23)6-9-19(20)27/h4-9,13,18H,2-3,10-12,14H2,1H3,(H,24,28)/t18-/m1/s1
InChIKeyGHQQRGZHZWZERW-GOSISDBHSA-N
MW386.45 g/mol
LogP3.73
Rot. Bonds3

About 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide

6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 170612399) has the molecular formula C21H24F2N4O and a molecular weight of 386.45 g/mol. Its IUPAC name is 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID170612399
Molecular FormulaC21H24F2N4O
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC Name6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
SMILESCN1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(F)cc2)c2cc(F)ccc21
InChIInChI=1S/C21H24F2N4O/c1-25-10-2-3-18(25)14-24-21(28)27-12-11-26(17-7-4-15(22)5-8-17)20-13-16(23)6-9-19(20)27/h4-9,13,18H,2-3,10-12,14H2,1H3,(H,24,28)/t18-/m1/s1
InChIKeyGHQQRGZHZWZERW-GOSISDBHSA-N
XLogP3.73
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide with MolForge

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Related Compounds

6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 170439643
6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612365
6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612360
tert-butyl (2R)-2-[[[4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 170439513
[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone
CID 170439532
4-fluoro-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 129487962
tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 170612392
2,5-difluoro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83953736
1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one
CID 170155601
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110853309
2-amino-1-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 119899727

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide (CID 170612399) is 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide is CN1CCC[C@@H]1CNC(=O)N1CCN(c2ccc(F)cc2)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is GHQQRGZHZWZERW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24F2N4O/c1-25-10-2-3-18(25)14-24-21(28)27-12-11-26(17-7-4-15(22)5-8-17)20-13-16(23)6-9-19(20)27/h4-9,13,18H,2-3,10-12,14H2,1H3,(H,24,28)/t18-/m1/s1.
What are the key properties of 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide?
6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170612399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).