N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

C31H25N5O — CID 108794860

IUPACN-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESCCc1cccc2c1[nH]c1cc(NC(=O)CCn3c4ccccc4c4nc5ccccc5nc43)ccc12
InChIInChI=1S/C31H25N5O/c1-2-19-8-7-10-22-21-15-14-20(18-26(21)34-29(19)22)32-28(37)16-17-36-27-13-6-3-9-23(27)30-31(36)35-25-12-5-4-11-24(25)33-30/h3-15,18,34H,2,16-17H2,1H3,(H,32,37)
InChIKeyFIRCFDIWYNWCJY-UHFFFAOYSA-N
MW483.58 g/mol
LogP6.96
Rot. Bonds5

About N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide

N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (PubChem CID 108794860) has the molecular formula C31H25N5O and a molecular weight of 483.58 g/mol. Its IUPAC name is N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.

Molecular Properties

Compound NameN-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
PubChem CID108794860
Molecular FormulaC31H25N5O
Molecular Weight483.58 g/mol
Exact Mass483.21
IUPAC NameN-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
SMILESCCc1cccc2c1[nH]c1cc(NC(=O)CCn3c4ccccc4c4nc5ccccc5nc43)ccc12
InChIInChI=1S/C31H25N5O/c1-2-19-8-7-10-22-21-15-14-20(18-26(21)34-29(19)22)32-28(37)16-17-36-27-13-6-3-9-23(27)30-31(36)35-25-12-5-4-11-24(25)33-30/h3-15,18,34H,2,16-17H2,1H3,(H,32,37)
InChIKeyFIRCFDIWYNWCJY-UHFFFAOYSA-N
XLogP6.96
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
N-(2,5-dimethylpyrazol-3-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806370
N-(2-fluorophenyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806337
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-iodophenyl)propanamide
CID 108794763
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
CID 108806279
3-indolo[3,2-b]quinoxalin-6-yl-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730975
3-indolo[3,2-b]quinoxalin-6-yl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108794823
N-(2-hydroxypropyl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108794841
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)propanoic acid
CID 108794724
3-hydroxy-4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzoic acid
CID 108744221
ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738829

Frequently Asked Questions

What is the IUPAC name of N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The IUPAC name of N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide (CID 108794860) is N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide.
What is the SMILES notation for N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The canonical SMILES for N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is CCc1cccc2c1[nH]c1cc(NC(=O)CCn3c4ccccc4c4nc5ccccc5nc43)ccc12.
What is the InChIKey of N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
The InChIKey is FIRCFDIWYNWCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O/c1-2-19-8-7-10-22-21-15-14-20(18-26(21)34-29(19)22)32-28(37)16-17-36-27-13-6-3-9-23(27)30-31(36)35-25-12-5-4-11-24(25)33-30/h3-15,18,34H,2,16-17H2,1H3,(H,32,37).
What are the key properties of N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide?
N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide has a molecular weight of 483.58 g/mol, XLogP of 6.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-ethyl-9H-carbazol-2-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide is sourced from PubChem (CID 108794860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).