8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

C29H29N5O3 — CID 58575544

IUPAC8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2[nH]c(=O)c4cnc(C5CCOCC5)n4c2cc1C)CC3
InChIInChI=1S/C29H29N5O3/c1-16-3-4-22-20(11-16)21-15-33(8-5-23(21)31-22)29(36)19-13-24-25(12-17(19)2)34-26(28(35)32-24)14-30-27(34)18-6-9-37-10-7-18/h3-4,11-14,18,31H,5-10,15H2,1-2H3,(H,32,35)
InChIKeyFJSBPDGCJYAETP-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.37
Rot. Bonds2

About 8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575544) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575544
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2[nH]c(=O)c4cnc(C5CCOCC5)n4c2cc1C)CC3
InChIInChI=1S/C29H29N5O3/c1-16-3-4-22-20(11-16)21-15-33(8-5-23(21)31-22)29(36)19-13-24-25(12-17(19)2)34-26(28(35)32-24)14-30-27(34)18-6-9-37-10-7-18/h3-4,11-14,18,31H,5-10,15H2,1-2H3,(H,32,35)
InChIKeyFJSBPDGCJYAETP-UHFFFAOYSA-N
XLogP4.37
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58575544) is 8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc2[nH]c(=O)c4cnc(C5CCOCC5)n4c2cc1C)CC3.
What is the InChIKey of 8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is FJSBPDGCJYAETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-16-3-4-22-20(11-16)21-15-33(8-5-23(21)31-22)29(36)19-13-24-25(12-17(19)2)34-26(28(35)32-24)14-30-27(34)18-6-9-37-10-7-18/h3-4,11-14,18,31H,5-10,15H2,1-2H3,(H,32,35).
What are the key properties of 8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 495.58 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).