N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline

C24H28N4O — CID 170752982

IUPACN-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline
SMILESC=Cc1ccccc1NC(C)c1cc(C)cc2nc(C)c(N3CCOCC3)nc12
InChIInChI=1S/C24H28N4O/c1-5-19-8-6-7-9-21(19)25-17(3)20-14-16(2)15-22-23(20)27-24(18(4)26-22)28-10-12-29-13-11-28/h5-9,14-15,17,25H,1,10-13H2,2-4H3
InChIKeyCWZOXPZJCPYKJB-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.90
Rot. Bonds5

About N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline

N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline (PubChem CID 170752982) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline.

Molecular Properties

Compound NameN-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline
PubChem CID170752982
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline
SMILESC=Cc1ccccc1NC(C)c1cc(C)cc2nc(C)c(N3CCOCC3)nc12
InChIInChI=1S/C24H28N4O/c1-5-19-8-6-7-9-21(19)25-17(3)20-14-16(2)15-22-23(20)27-24(18(4)26-22)28-10-12-29-13-11-28/h5-9,14-15,17,25H,1,10-13H2,2-4H3
InChIKeyCWZOXPZJCPYKJB-UHFFFAOYSA-N
XLogP4.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline
CID 170752990
2-[[(1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethyl]amino]-5-fluorobenzoic acid
CID 170752968
(1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine
CID 170752965
2-[[(1R)-1-[2-cyano-7-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)quinoxalin-5-yl]ethyl]amino]benzoic acid
CID 172521498
8-[1-(2-dimethylphosphorylanilino)ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753683
8-[1-[2-(2-hydroxyacetyl)anilino]ethyl]-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753581
2-[[(1S)-1-[2-cyano-3-(4,4-difluoropiperidin-1-yl)-7-methylquinoxalin-5-yl]ethyl]amino]benzoic acid
CID 172521608
2-[[(1S)-1-(3,6-dimethyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethyl]amino]benzoic acid
CID 170753200
2-[[(1R)-1-[2-cyano-3-(4-cyano-4-methylpiperidin-1-yl)-7-methylquinoxalin-5-yl]ethyl]amino]benzoic acid
CID 172521492
2-[[(1R)-1-[2-cyano-7-methyl-3-(oxan-4-yl)quinoxalin-5-yl]ethyl]amino]benzoic acid
CID 172521554
2-[1-[2-cyano-7-methyl-3-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]quinoxalin-5-yl]ethylamino]benzoic acid
CID 172521604
2-[[(1R)-1-[2-cyano-7-methyl-3-(4-pyridin-3-ylpiperazin-1-yl)quinoxalin-5-yl]ethyl]amino]benzoic acid
CID 172522100

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline?
The IUPAC name of N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline (CID 170752982) is N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline.
What is the SMILES notation for N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline?
The canonical SMILES for N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline is C=Cc1ccccc1NC(C)c1cc(C)cc2nc(C)c(N3CCOCC3)nc12.
What is the InChIKey of N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline?
The InChIKey is CWZOXPZJCPYKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-5-19-8-6-7-9-21(19)25-17(3)20-14-16(2)15-22-23(20)27-24(18(4)26-22)28-10-12-29-13-11-28/h5-9,14-15,17,25H,1,10-13H2,2-4H3.
What are the key properties of N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline?
N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline has a molecular weight of 388.52 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline is sourced from PubChem (CID 170752982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).