7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline

C25H23N3O — CID 2001811

IUPAC7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1
InChIInChI=1S/C25H23N3O/c1-3-15-29-19-13-11-18(12-14-19)16-28-24-17(2)7-6-8-20(24)23-25(28)27-22-10-5-4-9-21(22)26-23/h4-14H,3,15-16H2,1-2H3
InChIKeyHLLFVCPTXOWYGQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.88
Rot. Bonds5

About 7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline

7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline (PubChem CID 2001811) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
PubChem CID2001811
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
SMILESCCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1
InChIInChI=1S/C25H23N3O/c1-3-15-29-19-13-11-18(12-14-19)16-28-24-17(2)7-6-8-20(24)23-25(28)27-22-10-5-4-9-21(22)26-23/h4-14H,3,15-16H2,1-2H3
InChIKeyHLLFVCPTXOWYGQ-UHFFFAOYSA-N
XLogP5.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-6-[(2-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 3700504
3-methylbutyl 2-(7-methylindolo[3,2-b]quinoxalin-6-yl)acetate
CID 2006980
2-propan-2-yl-1-[(4-propoxyphenyl)methyl]benzimidazole
CID 23963358
propyl 4-(indolo[3,2-b]quinoxalin-6-ylmethyl)benzoate
CID 23411168
7,9-dibromo-6-[(4-methoxy-3-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730400
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
7-methyl-6-propan-2-ylindolo[3,2-b]quinoxaline
CID 936999
7,9-dibromo-6-[(4-propan-2-yloxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730392
3-[1-[(4-propoxyphenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3827854
3-[2-(7-methylindolo[3,2-b]quinoxalin-6-yl)ethyl]-1,3-benzoxazol-2-one
CID 3697644
7,9-dibromo-6-[(4-methylphenyl)methyl]indolo[3,2-b]quinoxaline
CID 4730380
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline (CID 2001811) is 7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline is CCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1.
What is the InChIKey of 7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
The InChIKey is HLLFVCPTXOWYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c1-3-15-29-19-13-11-18(12-14-19)16-28-24-17(2)7-6-8-20(24)23-25(28)27-22-10-5-4-9-21(22)26-23/h4-14H,3,15-16H2,1-2H3.
What are the key properties of 7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline?
7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline has a molecular weight of 381.48 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[(4-propoxyphenyl)methyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 2001811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).