2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline

C19H20N4O — CID 67035841

IUPAC2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline
SMILESCc1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)ccc1N
InChIInChI=1S/C19H20N4O/c1-13-10-14(2-4-16(13)20)15-3-5-17-18(11-15)22-19(12-21-17)23-6-8-24-9-7-23/h2-5,10-12H,6-9,20H2,1H3
InChIKeyHBGGEFBDOUGDOA-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.02
Rot. Bonds2

About 2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline

2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline (PubChem CID 67035841) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline
PubChem CID67035841
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline
SMILESCc1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)ccc1N
InChIInChI=1S/C19H20N4O/c1-13-10-14(2-4-16(13)20)15-3-5-17-18(11-15)22-19(12-21-17)23-6-8-24-9-7-23/h2-5,10-12H,6-9,20H2,1H3
InChIKeyHBGGEFBDOUGDOA-UHFFFAOYSA-N
XLogP3.02
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
4-[7-(2-methyl-1H-imidazol-5-yl)quinoxalin-2-yl]morpholine
CID 91385762
4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67036137
4-[7-(furan-2-yl)quinoxalin-2-yl]morpholine
CID 173105011
4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine
CID 51042260
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039
4-[7-(3-propan-2-yloxyphenyl)quinoxalin-2-yl]morpholine
CID 51039662
2,3-dimethyl-4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 174653885
5-(6-morpholin-4-yl-1,5-naphthyridin-3-yl)-1,3-benzoxazol-2-amine
CID 54675302
N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
CID 67035240
2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide
CID 67035276
3-[1-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)pyrazol-3-yl]aniline
CID 91122899

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline?
The IUPAC name of 2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline (CID 67035841) is 2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline.
What is the SMILES notation for 2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline?
The canonical SMILES for 2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline is Cc1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)ccc1N.
What is the InChIKey of 2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline?
The InChIKey is HBGGEFBDOUGDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-10-14(2-4-16(13)20)15-3-5-17-18(11-15)22-19(12-21-17)23-6-8-24-9-7-23/h2-5,10-12H,6-9,20H2,1H3.
What are the key properties of 2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline?
2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline has a molecular weight of 320.40 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline is sourced from PubChem (CID 67035841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).