6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide

C23H28F2N4O — CID 170612360

IUPAC6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
SMILESCC(C)N1CC[C@H](CNC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)C1
InChIInChI=1S/C23H28F2N4O/c1-16(2)27-10-9-17(15-27)14-26-23(30)29-12-11-28(20-6-3-18(24)4-7-20)22-13-19(25)5-8-21(22)29/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,26,30)/t17-/m1/s1
InChIKeySAPQOTVQEXCJDJ-QGZVFWFLSA-N
MW414.50 g/mol
LogP4.36
Rot. Bonds4

About 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide

6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 170612360) has the molecular formula C23H28F2N4O and a molecular weight of 414.50 g/mol. Its IUPAC name is 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID170612360
Molecular FormulaC23H28F2N4O
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
SMILESCC(C)N1CC[C@H](CNC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)C1
InChIInChI=1S/C23H28F2N4O/c1-16(2)27-10-9-17(15-27)14-26-23(30)29-12-11-28(20-6-3-18(24)4-7-20)22-13-19(25)5-8-21(22)29/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,26,30)/t17-/m1/s1
InChIKeySAPQOTVQEXCJDJ-QGZVFWFLSA-N
XLogP4.36
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide 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

6-fluoro-4-(4-fluorophenyl)-N-[(1-propan-2-ylazetidin-3-yl)methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612365
6-fluoro-4-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
CID 170439643
6-fluoro-4-(4-fluorophenyl)-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 170612399
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
3-(4-fluorophenoxy)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]azetidine-1-carboxamide
CID 121494905
[6-fluoro-4-(4-fluorophenyl)-2,3-dihydroquinoxalin-1-yl]-pyrrolidin-1-ylmethanone
CID 170439532
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
1-(4-fluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 114829496

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide (CID 170612360) is 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide is CC(C)N1CC[C@H](CNC(=O)N2CCN(c3ccc(F)cc3)c3cc(F)ccc32)C1.
What is the InChIKey of 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is SAPQOTVQEXCJDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28F2N4O/c1-16(2)27-10-9-17(15-27)14-26-23(30)29-12-11-28(20-6-3-18(24)4-7-20)22-13-19(25)5-8-21(22)29/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,26,30)/t17-/m1/s1.
What are the key properties of 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide?
6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 414.50 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-fluorophenyl)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170612360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).