[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone

C21H28N4O — CID 47067486

IUPAC[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCCN(CC2CCCCC2)CC1
InChIInChI=1S/C21H28N4O/c26-21(20-15-22-18-9-4-5-10-19(18)23-20)25-12-6-11-24(13-14-25)16-17-7-2-1-3-8-17/h4-5,9-10,15,17H,1-3,6-8,11-14,16H2
InChIKeyGMZHDXNZVFLPEJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.36
Rot. Bonds3

About [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone

[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 47067486) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
PubChem CID47067486
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCCN(CC2CCCCC2)CC1
InChIInChI=1S/C21H28N4O/c26-21(20-15-22-18-9-4-5-10-19(18)23-20)25-12-6-11-24(13-14-25)16-17-7-2-1-3-8-17/h4-5,9-10,15,17H,1-3,6-8,11-14,16H2
InChIKeyGMZHDXNZVFLPEJ-UHFFFAOYSA-N
XLogP3.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
CID 55595762
1,2,4-benzotriazin-3-yl-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]methanone
CID 95751417
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 95751558
[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 107356517
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 95758800
[4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 139598913
(2-aminophenyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119946751
[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone
CID 10005692
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 55955450

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone (CID 47067486) is [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone is O=C(c1cnc2ccccc2n1)N1CCCN(CC2CCCCC2)CC1.
What is the InChIKey of [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is GMZHDXNZVFLPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(20-15-22-18-9-4-5-10-19(18)23-20)25-12-6-11-24(13-14-25)16-17-7-2-1-3-8-17/h4-5,9-10,15,17H,1-3,6-8,11-14,16H2.
What are the key properties of [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone?
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 352.48 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 47067486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).