[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone

C31H30F2N4O3 — CID 46885290

IUPAC[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2cnc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3
InChIKeyGBRGJHQHNKMEPR-UHFFFAOYSA-N
MW544.60 g/mol
LogP4.86
Rot. Bonds5

About [4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone

[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone (PubChem CID 46885290) has the molecular formula C31H30F2N4O3 and a molecular weight of 544.60 g/mol. Its IUPAC name is [4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone
PubChem CID46885290
Molecular FormulaC31H30F2N4O3
Molecular Weight544.60 g/mol
Exact Mass544.23
IUPAC Name[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2cnc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3
InChIKeyGBRGJHQHNKMEPR-UHFFFAOYSA-N
XLogP4.86
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.60
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10639336
11-[2-(Dimethylamino)ethyl]-3,11-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10,12-dione
CID 10757977
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CID 20597810
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CID 24959937
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[4-[8-[4-[(1,1-Dioxo-1,4-thiazinan-4-yl)methyl]phenyl]quinoxalin-2-yl]-2-methylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 46885233

Frequently Asked Questions

What is the IUPAC name of [4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone (CID 46885290) is [4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone is Cc1cc(-c2cnc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)ccc1C(=O)N1CCOCC1.
What is the InChIKey of [4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone?
The InChIKey is GBRGJHQHNKMEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3.
What are the key properties of [4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone?
[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone has a molecular weight of 544.60 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46885290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).