[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone

C21H26N6O2 — CID 134702451

IUPAC[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone
SMILESCOCCn1ccnc1CN1CCCN(C(=O)c2cccc3nccnc23)CC1
InChIInChI=1S/C21H26N6O2/c1-29-15-14-26-11-8-23-19(26)16-25-9-3-10-27(13-12-25)21(28)17-4-2-5-18-20(17)24-7-6-22-18/h2,4-8,11H,3,9-10,12-16H2,1H3
InChIKeyXCEXVLUQYXOSTC-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.82
Rot. Bonds6

About [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone

[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone (PubChem CID 134702451) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone
PubChem CID134702451
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone
SMILESCOCCn1ccnc1CN1CCCN(C(=O)c2cccc3nccnc23)CC1
InChIInChI=1S/C21H26N6O2/c1-29-15-14-26-11-8-23-19(26)16-25-9-3-10-27(13-12-25)21(28)17-4-2-5-18-20(17)24-7-6-22-18/h2,4-8,11H,3,9-10,12-16H2,1H3
InChIKeyXCEXVLUQYXOSTC-UHFFFAOYSA-N
XLogP1.82
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone with MolForge

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Related Compounds

4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one
CID 134705172
(2-bromo-3-methylphenyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 103853554
2-(3-methoxypropyl)-8-(quinoxaline-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756988
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
CID 131902682
[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25274515
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 90561497
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 78900342
(2,6-dichloro-3-pyridinyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 106993356
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23994165
[4-(2-phenoxyethyl)piperazin-1-yl]-quinolin-5-ylmethanone
CID 17455550
ethenyl 4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxylate
CID 3454989

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone?
The IUPAC name of [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone (CID 134702451) is [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone.
What is the SMILES notation for [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone?
The canonical SMILES for [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone is COCCn1ccnc1CN1CCCN(C(=O)c2cccc3nccnc23)CC1.
What is the InChIKey of [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone?
The InChIKey is XCEXVLUQYXOSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-29-15-14-26-11-8-23-19(26)16-25-9-3-10-27(13-12-25)21(28)17-4-2-5-18-20(17)24-7-6-22-18/h2,4-8,11H,3,9-10,12-16H2,1H3.
What are the key properties of [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone?
[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone has a molecular weight of 394.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepan-1-yl]-quinoxalin-5-ylmethanone is sourced from PubChem (CID 134702451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).