3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide

C30H34FN7O2 — CID 118453965

IUPAC3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide
SMILESCn1cncc1CCNC(=O)c1ccc2nc(N3CCC(N4CCOCC4)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C30H34FN7O2/c1-36-20-32-19-25(36)8-11-33-30(39)22-4-7-26-27(18-22)34-28(21-2-5-23(31)6-3-21)29(35-26)38-12-9-24(10-13-38)37-14-16-40-17-15-37/h2-7,18-20,24H,8-17H2,1H3,(H,33,39)
InChIKeyCOSNXFQQDXCWST-UHFFFAOYSA-N
MW543.65 g/mol
LogP3.44
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide

3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide (PubChem CID 118453965) has the molecular formula C30H34FN7O2 and a molecular weight of 543.65 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide
PubChem CID118453965
Molecular FormulaC30H34FN7O2
Molecular Weight543.65 g/mol
Exact Mass543.28
IUPAC Name3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide
SMILESCn1cncc1CCNC(=O)c1ccc2nc(N3CCC(N4CCOCC4)CC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C30H34FN7O2/c1-36-20-32-19-25(36)8-11-33-30(39)22-4-7-26-27(18-22)34-28(21-2-5-23(31)6-3-21)29(35-26)38-12-9-24(10-13-38)37-14-16-40-17-15-37/h2-7,18-20,24H,8-17H2,1H3,(H,33,39)
InChIKeyCOSNXFQQDXCWST-UHFFFAOYSA-N
XLogP3.44
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.65
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide (CID 118453965) is 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide is Cn1cncc1CCNC(=O)c1ccc2nc(N3CCC(N4CCOCC4)CC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide?
The InChIKey is COSNXFQQDXCWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O2/c1-36-20-32-19-25(36)8-11-33-30(39)22-4-7-26-27(18-22)34-28(21-2-5-23(31)6-3-21)29(35-26)38-12-9-24(10-13-38)37-14-16-40-17-15-37/h2-7,18-20,24H,8-17H2,1H3,(H,33,39).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide?
3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide has a molecular weight of 543.65 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-2-(4-morpholin-4-ylpiperidin-1-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 118453965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).