2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline

C21H21N3O — CID 102458937

IUPAC2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline
SMILESCCCCc1cc2nc3ccccc3nc2n1-c1ccc(OC)cc1
InChIInChI=1S/C21H21N3O/c1-3-4-7-16-14-20-21(23-19-9-6-5-8-18(19)22-20)24(16)15-10-12-17(25-2)13-11-15/h5-6,8-14H,3-4,7H2,1-2H3
InChIKeyVUAAMVLBATUHJX-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.92
Rot. Bonds5

About 2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline

2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline (PubChem CID 102458937) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline
PubChem CID102458937
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline
SMILESCCCCc1cc2nc3ccccc3nc2n1-c1ccc(OC)cc1
InChIInChI=1S/C21H21N3O/c1-3-4-7-16-14-20-21(23-19-9-6-5-8-18(19)22-20)24(16)15-10-12-17(25-2)13-11-15/h5-6,8-14H,3-4,7H2,1-2H3
InChIKeyVUAAMVLBATUHJX-UHFFFAOYSA-N
XLogP4.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-pentylpyrrole
CID 86037398
propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2005816
6-heptyl-9-methoxyindolo[3,2-b]quinoxaline
CID 3449357
N,N-diethyl-4-[2-(4-methoxyphenyl)imidazo[4,5-b]quinoxalin-3-yl]aniline
CID 7459680
2,3-dibutylquinoxaline
CID 14641798
2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
CID 131874393
2-butyl-1-(2-methoxyphenyl)indole
CID 86031252
6-ethyl-9-methoxyindolo[3,2-b]quinoxaline
CID 945804
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
3-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159759
2-(4-methoxyphenyl)-3-propylimidazo[4,5-b]quinoxaline
CID 663511
5-butyl-3-chloro-1-(4-methoxyphenyl)-1,2,4-triazole
CID 30032859

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline?
The IUPAC name of 2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline (CID 102458937) is 2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline.
What is the SMILES notation for 2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline?
The canonical SMILES for 2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline is CCCCc1cc2nc3ccccc3nc2n1-c1ccc(OC)cc1.
What is the InChIKey of 2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline?
The InChIKey is VUAAMVLBATUHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-4-7-16-14-20-21(23-19-9-6-5-8-18(19)22-20)24(16)15-10-12-17(25-2)13-11-15/h5-6,8-14H,3-4,7H2,1-2H3.
What are the key properties of 2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline?
2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline has a molecular weight of 331.42 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline is sourced from PubChem (CID 102458937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).