[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone

C19H19F2N3O — CID 170439532

IUPAC[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(c2ccc(F)cc2)c2cc(F)ccc21
InChIInChI=1S/C19H19F2N3O/c20-14-3-6-16(7-4-14)23-11-12-24(19(25)22-9-1-2-10-22)17-8-5-15(21)13-18(17)23/h3-8,13H,1-2,9-12H2
InChIKeyPLLFFHRDRFSMBB-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.14
Rot. Bonds1

About [6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone

[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 170439532) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is [6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID170439532
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCN(c2ccc(F)cc2)c2cc(F)ccc21
InChIInChI=1S/C19H19F2N3O/c20-14-3-6-16(7-4-14)23-11-12-24(19(25)22-9-1-2-10-22)17-8-5-15(21)13-18(17)23/h3-8,13H,1-2,9-12H2
InChIKeyPLLFFHRDRFSMBB-UHFFFAOYSA-N
XLogP4.14
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612399
6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 170439643
tert-butyl (3R)-3-[[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 170612392
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
(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid
CID 103499981
1-(piperidine-1-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61181121
(6-fluoro-2,3-dihydroindol-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 103494882
1-[4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-3-(2-methylpyrrolidin-1-yl)propan-1-one
CID 170155601
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204404

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone (CID 170439532) is [6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCN(c2ccc(F)cc2)c2cc(F)ccc21.
What is the InChIKey of [6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PLLFFHRDRFSMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c20-14-3-6-16(7-4-14)23-11-12-24(19(25)22-9-1-2-10-22)17-8-5-15(21)13-18(17)23/h3-8,13H,1-2,9-12H2.
What are the key properties of [6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone?
[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 343.38 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 170439532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).