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

C23H28N4O3S — CID 170752990

IUPACN-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline
SMILESCc1cc([C@@H](C)Nc2ccccc2S(C)(=O)=O)c2nc(N3CCOCC3)c(C)nc2c1
InChIInChI=1S/C23H28N4O3S/c1-15-13-18(16(2)24-19-7-5-6-8-21(19)31(4,28)29)22-20(14-15)25-17(3)23(26-22)27-9-11-30-12-10-27/h5-8,13-14,16,24H,9-12H2,1-4H3/t16-/m1/s1
InChIKeyKIXYHHGGKRLQLR-MRXNPFEDSA-N
MW440.57 g/mol
LogP3.66
Rot. Bonds5

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

N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline (PubChem CID 170752990) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline
PubChem CID170752990
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline
SMILESCc1cc([C@@H](C)Nc2ccccc2S(C)(=O)=O)c2nc(N3CCOCC3)c(C)nc2c1
InChIInChI=1S/C23H28N4O3S/c1-15-13-18(16(2)24-19-7-5-6-8-21(19)31(4,28)29)22-20(14-15)25-17(3)23(26-22)27-9-11-30-12-10-27/h5-8,13-14,16,24H,9-12H2,1-4H3/t16-/m1/s1
InChIKeyKIXYHHGGKRLQLR-MRXNPFEDSA-N
XLogP3.66
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-ethenylaniline
CID 170752982
3,6-dimethyl-8-[(1S)-1-(2-methylsulfonylanilino)ethyl]-2-(oxan-4-yl)quinazolin-4-one
CID 170753886
3-methyl-8-[(1S)-1-(2-methylsulfonylanilino)ethyl]-2-morpholin-4-ylquinazolin-4-one
CID 170753584
3-(difluoromethyl)-6-fluoro-8-[(1R)-1-(2-methylsulfonylanilino)ethyl]-2-morpholin-4-ylquinazolin-4-one
CID 170753667
2-[[(1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethyl]amino]-5-fluorobenzoic acid
CID 170752968
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
N-[1-(2-methylphenyl)ethyl]-2-methylsulfonylaniline
CID 43233045
(1R)-1-(2,7-dimethyl-3-piperidin-1-ylquinoxalin-5-yl)ethanamine
CID 170752965
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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline?
The IUPAC name of N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline (CID 170752990) is N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline.
What is the SMILES notation for N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline?
The canonical SMILES for N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline is Cc1cc([C@@H](C)Nc2ccccc2S(C)(=O)=O)c2nc(N3CCOCC3)c(C)nc2c1.
What is the InChIKey of N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline?
The InChIKey is KIXYHHGGKRLQLR-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-15-13-18(16(2)24-19-7-5-6-8-21(19)31(4,28)29)22-20(14-15)25-17(3)23(26-22)27-9-11-30-12-10-27/h5-8,13-14,16,24H,9-12H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline?
N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline has a molecular weight of 440.57 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,7-dimethyl-3-morpholin-4-ylquinoxalin-5-yl)ethyl]-2-methylsulfonylaniline is sourced from PubChem (CID 170752990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).