(2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone

C25H26FN5O3 — CID 42861815

IUPAC(2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2ccccc2n1)N1CCOC(CN2CCN(C(=O)c3ccccc3F)CC2)C1
InChIInChI=1S/C25H26FN5O3/c26-20-6-2-1-5-19(20)24(32)30-11-9-29(10-12-30)16-18-17-31(13-14-34-18)25(33)23-15-27-21-7-3-4-8-22(21)28-23/h1-8,15,18H,9-14,16-17H2
InChIKeyYGTBCSFCENSEHX-UHFFFAOYSA-N
MW463.51 g/mol
LogP2.07
Rot. Bonds4

About (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 42861815) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID42861815
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name(2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2ccccc2n1)N1CCOC(CN2CCN(C(=O)c3ccccc3F)CC2)C1
InChIInChI=1S/C25H26FN5O3/c26-20-6-2-1-5-19(20)24(32)30-11-9-29(10-12-30)16-18-17-31(13-14-34-18)25(33)23-15-27-21-7-3-4-8-22(21)28-23/h1-8,15,18H,9-14,16-17H2
InChIKeyYGTBCSFCENSEHX-UHFFFAOYSA-N
XLogP2.07
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 42861811
2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 92988117
[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423
N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861747
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-quinoxalin-2-ylmethanone
CID 127781397
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 46419065
(4-chlorophenyl)-[2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861858
(2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42849221
1-[4-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861508
1-[4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 42861510
N-(cyclopropylmethyl)-3-methoxy-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861712

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone (CID 42861815) is (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone is O=C(c1cnc2ccccc2n1)N1CCOC(CN2CCN(C(=O)c3ccccc3F)CC2)C1.
What is the InChIKey of (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is YGTBCSFCENSEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c26-20-6-2-1-5-19(20)24(32)30-11-9-29(10-12-30)16-18-17-31(13-14-34-18)25(33)23-15-27-21-7-3-4-8-22(21)28-23/h1-8,15,18H,9-14,16-17H2.
What are the key properties of (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 463.51 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42861815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).