4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline

C20H19N3O — CID 127052549

IUPAC4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)c1cccn12
InChIInChI=1S/C20H19N3O/c1-22(2)15-8-6-14(7-9-15)20-19-5-4-12-23(19)18-11-10-16(24-3)13-17(18)21-20/h4-13H,1-3H3
InChIKeyXJEFYPYKUYMHFJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.23
Rot. Bonds3

About 4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline

4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline (PubChem CID 127052549) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline
PubChem CID127052549
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)c1cccn12
InChIInChI=1S/C20H19N3O/c1-22(2)15-8-6-14(7-9-15)20-19-5-4-12-23(19)18-11-10-16(24-3)13-17(18)21-20/h4-13H,1-3H3
InChIKeyXJEFYPYKUYMHFJ-UHFFFAOYSA-N
XLogP4.23
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Sitamaquine
CID 42548
6,7-Dimethoxy-3-phenylquinoxaline
CID 2049
Omeprazole sulfenamide
CID 5311467
N-butylharmine
CID 486624
[2-(6-Methoxy-indol-1-yl)-ethyl]-dimethyl-amine
CID 44287445
7-Methoxy-1,2-dimethyl-2H-pyrido(3,4-b)indole
CID 160853
4-(6-(2-fluoroethoxy)quinoxalin-2-yl)-N,N-dimethylaniline
CID 71764366
4-[6-(2-(18F)fluoroethoxy)quinoxalin-2-yl]-N,N-dimethyl(18F)aniline
CID 71816462
N-Ethylharmine
CID 486623
2-(4-Ethoxyphenyl)quinoxaline
CID 765189
9H-Pyrido[3,4-b]indole, 7-methoxy-1,9-dimethyl-
CID 486622
2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline (CID 127052549) is 4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline is COc1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)c1cccn12.
What is the InChIKey of 4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline?
The InChIKey is XJEFYPYKUYMHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-22(2)15-8-6-14(7-9-15)20-19-5-4-12-23(19)18-11-10-16(24-3)13-17(18)21-20/h4-13H,1-3H3.
What are the key properties of 4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline?
4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline has a molecular weight of 317.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline is sourced from PubChem (CID 127052549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).