1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine

C21H31N7O3 — CID 146314879

IUPAC1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine
SMILESCOc1cc2nc(C(N)CCCN)c3nnc(C)n3c2cc1OCCN1CCOCC1
InChIInChI=1S/C21H31N7O3/c1-14-25-26-21-20(15(23)4-3-5-22)24-16-12-18(29-2)19(13-17(16)28(14)21)31-11-8-27-6-9-30-10-7-27/h12-13,15H,3-11,22-23H2,1-2H3
InChIKeyVLUGCUGAUVQTJU-UHFFFAOYSA-N
MW429.53 g/mol
LogP1.04
Rot. Bonds9

About 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine

1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine (PubChem CID 146314879) has the molecular formula C21H31N7O3 and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine.

Molecular Properties

Compound Name1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine
PubChem CID146314879
Molecular FormulaC21H31N7O3
Molecular Weight429.53 g/mol
Exact Mass429.25
IUPAC Name1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine
SMILESCOc1cc2nc(C(N)CCCN)c3nnc(C)n3c2cc1OCCN1CCOCC1
InChIInChI=1S/C21H31N7O3/c1-14-25-26-21-20(15(23)4-3-5-22)24-16-12-18(29-2)19(13-17(16)28(14)21)31-11-8-27-6-9-30-10-7-27/h12-13,15H,3-11,22-23H2,1-2H3
InChIKeyVLUGCUGAUVQTJU-UHFFFAOYSA-N
XLogP1.04
TPSA126.05 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine with MolForge

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Related Compounds

1-[8-methoxy-1-methyl-7-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine
CID 146314919
1-(1-methyl-7-morpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine;dihydrochloride
CID 146314887
N-[5-[[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]pentyl]butanamide
CID 142745921
1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine
CID 146314810
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
4-[2-(6-methoxy-4-piperazin-1-ylquinazolin-7-yl)oxyethyl]morpholine
CID 11111537
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride
CID 171668654

Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine?
The IUPAC name of 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine (CID 146314879) is 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine.
What is the SMILES notation for 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine?
The canonical SMILES for 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine is COc1cc2nc(C(N)CCCN)c3nnc(C)n3c2cc1OCCN1CCOCC1.
What is the InChIKey of 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine?
The InChIKey is VLUGCUGAUVQTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O3/c1-14-25-26-21-20(15(23)4-3-5-22)24-16-12-18(29-2)19(13-17(16)28(14)21)31-11-8-27-6-9-30-10-7-27/h12-13,15H,3-11,22-23H2,1-2H3.
What are the key properties of 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine?
1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine has a molecular weight of 429.53 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine is sourced from PubChem (CID 146314879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).