4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one

C24H27N5O2 — CID 133378380

IUPAC4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CN(c2nc3ccccc3nc2NCC2CC(=O)Nc3ccccc32)CC(C)O1
InChIInChI=1S/C24H27N5O2/c1-15-13-29(14-16(2)31-15)24-23(27-20-9-5-6-10-21(20)28-24)25-12-17-11-22(30)26-19-8-4-3-7-18(17)19/h3-10,15-17H,11-14H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyXSNYYRUKOHXXCM-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.78
Rot. Bonds4

About 4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one

4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 133378380) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID133378380
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1CN(c2nc3ccccc3nc2NCC2CC(=O)Nc3ccccc32)CC(C)O1
InChIInChI=1S/C24H27N5O2/c1-15-13-29(14-16(2)31-15)24-23(27-20-9-5-6-10-21(20)28-24)25-12-17-11-22(30)26-19-8-4-3-7-18(17)19/h3-10,15-17H,11-14H2,1-2H3,(H,25,27)(H,26,30)
InChIKeyXSNYYRUKOHXXCM-UHFFFAOYSA-N
XLogP3.78
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 133378380) is 4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one is CC1CN(c2nc3ccccc3nc2NCC2CC(=O)Nc3ccccc32)CC(C)O1.
What is the InChIKey of 4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XSNYYRUKOHXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-13-29(14-16(2)31-15)24-23(27-20-9-5-6-10-21(20)28-24)25-12-17-11-22(30)26-19-8-4-3-7-18(17)19/h3-10,15-17H,11-14H2,1-2H3,(H,25,27)(H,26,30).
What are the key properties of 4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 417.51 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]amino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 133378380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).