[2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone

C30H30N4O3 — CID 59392747

IUPAC[2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2cccc3ncc(-c4ccc(N5CCOCC5)cc4)nc23)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C30H30N4O3/c1-21-19-23(7-10-25(21)30(35)34-13-17-37-18-14-34)26-3-2-4-27-29(26)32-28(20-31-27)22-5-8-24(9-6-22)33-11-15-36-16-12-33/h2-10,19-20H,11-18H2,1H3
InChIKeyCPFIGYZYOOQUQD-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.58
Rot. Bonds4

About [2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone

[2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 59392747) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is [2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID59392747
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name[2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1cc(-c2cccc3ncc(-c4ccc(N5CCOCC5)cc4)nc23)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C30H30N4O3/c1-21-19-23(7-10-25(21)30(35)34-13-17-37-18-14-34)26-3-2-4-27-29(26)32-28(20-31-27)22-5-8-24(9-6-22)33-11-15-36-16-12-33/h2-10,19-20H,11-18H2,1H3
InChIKeyCPFIGYZYOOQUQD-UHFFFAOYSA-N
XLogP4.58
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-methyl-4-[8-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 46885234
1-morpholin-4-yl-2-[4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]ethanone
CID 59392811
2-[2-fluoro-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]quinoxalin-5-yl]phenyl]-1-morpholin-4-ylethanone
CID 59392752
4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide
CID 59392667
[4-[8-[4-[dihydroxy(thiomorpholin-4-yl)methyl]-3-methylphenyl]quinoxalin-2-yl]-2-methylphenyl]-(4-methylpiperazin-1-yl)methanone
CID 67541048
[4-[2-[4-(4-cyclopropylpiperazin-1-yl)anilino]-1,3-benzoxazol-7-yl]-2-methylphenyl]-morpholin-4-ylmethanone
CID 59144269
[4-[8-[3,5-difluoro-4-(thiomorpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-2-methylphenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 67952173
[4-[8-[4-[dihydroxy(thiomorpholin-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methylphenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 67539443
[4-[2-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 146274685
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
N-hydroxy-3-(4-morpholin-4-ylphenyl)quinoxaline-6-carboxamide
CID 162733690
4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine
CID 67539895

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 59392747) is [2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone is Cc1cc(-c2cccc3ncc(-c4ccc(N5CCOCC5)cc4)nc23)ccc1C(=O)N1CCOCC1.
What is the InChIKey of [2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is CPFIGYZYOOQUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-21-19-23(7-10-25(21)30(35)34-13-17-37-18-14-34)26-3-2-4-27-29(26)32-28(20-31-27)22-5-8-24(9-6-22)33-11-15-36-16-12-33/h2-10,19-20H,11-18H2,1H3.
What are the key properties of [2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone?
[2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 494.60 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59392747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).