methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate

C32H26N4O3 — CID 102293329

IUPACmethyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1cccc3nc(-c4ccco4)c4cc5ccccc5n4c13)n2CC(C)C
InChIInChI=1S/C32H26N4O3/c1-19(2)18-35-26-14-13-21(32(37)38-3)16-24(26)34-31(35)22-9-6-10-23-30(22)36-25-11-5-4-8-20(25)17-27(36)29(33-23)28-12-7-15-39-28/h4-17,19H,18H2,1-3H3
InChIKeyMNXYUSSLDYPEDF-UHFFFAOYSA-N
MW514.59 g/mol
LogP7.36
Rot. Bonds5

About methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate

methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate (PubChem CID 102293329) has the molecular formula C32H26N4O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate
PubChem CID102293329
Molecular FormulaC32H26N4O3
Molecular Weight514.59 g/mol
Exact Mass514.20
IUPAC Namemethyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(-c1cccc3nc(-c4ccco4)c4cc5ccccc5n4c13)n2CC(C)C
InChIInChI=1S/C32H26N4O3/c1-19(2)18-35-26-14-13-21(32(37)38-3)16-24(26)34-31(35)22-9-6-10-23-30(22)36-25-11-5-4-8-20(25)17-27(36)29(33-23)28-12-7-15-39-28/h4-17,19H,18H2,1-3H3
InChIKeyMNXYUSSLDYPEDF-UHFFFAOYSA-N
XLogP7.36
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate with MolForge

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Related Compounds

5-[[4-[[1-Cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-4-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 3012719
1-Cyclohexyl-2-(2-furyl)benzimidazole-5-carboxylic acid
CID 491108
5-[[3-[[1-Cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]piperidine-3-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 3012722
5-[[(2R)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoyl]amino]-1H-indole-2-carboxylic acid
CID 5743093
11-(furan-2-ylmethyl)-3-(3-methylphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
CID 660904
2-(furan-2-yl)-1-[2-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]quinoxaline
CID 662029
3-Benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline
CID 51359022
2-(Furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
CID 53299389
4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(phenoxymethyl)benzimidazol-1-yl]ethyl]morpholine
CID 137657087
2-[5-[[2-Ethyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155519560
2-[5-[[2-Ethyl-4-methyl-6-(7-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155525586
2-[5-[[2-Butyl-4-methyl-6-(4-methyl-1,3-benzoxazol-2-yl)benzimidazol-1-yl]methyl]indol-1-yl]benzoic acid
CID 155539281

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate (CID 102293329) is methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(-c1cccc3nc(-c4ccco4)c4cc5ccccc5n4c13)n2CC(C)C.
What is the InChIKey of methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate?
The InChIKey is MNXYUSSLDYPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O3/c1-19(2)18-35-26-14-13-21(32(37)38-3)16-24(26)34-31(35)22-9-6-10-23-30(22)36-25-11-5-4-8-20(25)17-27(36)29(33-23)28-12-7-15-39-28/h4-17,19H,18H2,1-3H3.
What are the key properties of methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate?
methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate has a molecular weight of 514.59 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(furan-2-yl)indolo[1,2-a]quinoxalin-1-yl]-1-(2-methylpropyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 102293329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).