cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone

C18H22N4O — CID 166603282

IUPACcyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(C1CCC1)N1CCCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H22N4O/c23-18(14-5-3-6-14)22-10-4-9-21(11-12-22)17-13-19-15-7-1-2-8-16(15)20-17/h1-2,7-8,13-14H,3-6,9-12H2
InChIKeyQQESGZLITQNELG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.47
Rot. Bonds2

About cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone

cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone (PubChem CID 166603282) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
PubChem CID166603282
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Namecyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(C1CCC1)N1CCCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H22N4O/c23-18(14-5-3-6-14)22-10-4-9-21(11-12-22)17-13-19-15-7-1-2-8-16(15)20-17/h1-2,7-8,13-14H,3-6,9-12H2
InChIKeyQQESGZLITQNELG-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108741423
1-pyrrolidin-1-yl-2-(1-quinoxalin-2-ylpiperidin-4-yl)ethanone
CID 56815426
(2-methyl-1,3-thiazol-4-yl)-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 138387143
morpholin-4-yl-(1-quinoxalin-2-ylazetidin-3-yl)methanone
CID 163353090
2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone (CID 166603282) is cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone is O=C(C1CCC1)N1CCCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is QQESGZLITQNELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(14-5-3-6-14)22-10-4-9-21(11-12-22)17-13-19-15-7-1-2-8-16(15)20-17/h1-2,7-8,13-14H,3-6,9-12H2.
What are the key properties of cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone?
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 166603282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).