1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one

C29H36N4O2 — CID 46324746

IUPAC1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one
SMILESCc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3)c2cc1C
InChIInChI=1S/C29H36N4O2/c1-20-17-26-27(18-21(20)2)33(28(34)22(3)30-26)19-23-9-11-24(12-10-23)29(35)32-15-13-31(14-16-32)25-7-5-4-6-8-25/h9-12,17-18,25H,4-8,13-16,19H2,1-3H3
InChIKeyMOMJXGHDXOQVON-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.46
Rot. Bonds4

About 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one

1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one (PubChem CID 46324746) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one.

Molecular Properties

Compound Name1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one
PubChem CID46324746
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one
SMILESCc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3)c2cc1C
InChIInChI=1S/C29H36N4O2/c1-20-17-26-27(18-21(20)2)33(28(34)22(3)30-26)19-23-9-11-24(12-10-23)29(35)32-15-13-31(14-16-32)25-7-5-4-6-8-25/h9-12,17-18,25H,4-8,13-16,19H2,1-3H3
InChIKeyMOMJXGHDXOQVON-UHFFFAOYSA-N
XLogP4.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one with MolForge

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Related Compounds

3,6,7-trimethyl-1-[[4-(4-propylpiperazine-1-carbonyl)phenyl]methyl]quinoxalin-2-one
CID 46324759
6-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-ethyl-3-methylquinoxalin-2-one
CID 26009570
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione
CID 53135457
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
N-[(4-methylsulfanylphenyl)methyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324801
1-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-methylquinoxalin-2-one
CID 46324692
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324543
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
3,6,7-trimethyl-1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 46324538
1-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-ethylquinoxaline-2,3-dione
CID 46375719

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one?
The IUPAC name of 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one (CID 46324746) is 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one.
What is the SMILES notation for 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one?
The canonical SMILES for 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one is Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)N4CCN(C5CCCCC5)CC4)cc3)c2cc1C.
What is the InChIKey of 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one?
The InChIKey is MOMJXGHDXOQVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-20-17-26-27(18-21(20)2)33(28(34)22(3)30-26)19-23-9-11-24(12-10-23)29(35)32-15-13-31(14-16-32)25-7-5-4-6-8-25/h9-12,17-18,25H,4-8,13-16,19H2,1-3H3.
What are the key properties of 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one?
1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one has a molecular weight of 472.63 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one is sourced from PubChem (CID 46324746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).